Octacosanoic acid

PubChem CID: 10470

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Compound Synonyms	OCTACOSANOIC ACID, 506-48-9, Montanic acid, n-octacosanoic acid, octacosoic acid, octacosoate, Octacosansaeure, UNII-4BKL1A0KJY, octaeicosanoic acid, Octacosancarbonsaeure, 1-octacosanoic acid, n-octaeicosanoic acid, CHEBI:31001, MONTAN ACID ESTER, EINECS 208-041-8, MFCD00002812, 4BKL1A0KJY, Octacosanoic acid,synthetic, NSC 407311, NSC-407311, C28:0, CH3-[CH2]26-COOH, DTXSID2075051, n-octacosanoate, FA 28:0, octacosanoicacid, CH3-(CH2)26-COOH, N-Octaeicosanoate, SCHEMBL49866, CHEMBL2261064, DTXCID7040863, HY-N8425, LMFA01010028, NSC407311, AKOS015892943, Octacosanoic acid, synthetic, >=98%, DB-255857, CS-0144141, M1342, NS00013426, A12581, C21933, Q911196, 03D7DC3A-50B1-4BBA-9AF7-C86F38E231A2, Octacosanoic acid, puriss., synthetic, >=98.5% (GC)
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Np Classifier Class	Hydroxy fatty acids, Unsaturated fatty acids
Deep Smiles	CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O
Heavy Atom Count	30.0
Classyfire Class	Fatty acyls
Description	Octacosanoic acid is a very-long-chain fatty acid found in human brain and visceral organs (PMID: 2474624) Octacosanoic acid is a higher aliphatic primary acids purified from sugar-cane (Saccharum officinarum L.) wax that has been shown to inhibit platelet aggregation induced ex vivo by addition of agonists to platelet-rich plasma (PRP) of rats, guinea pigs, and healthy human volunteers. (PMID: 5099499) Octacosanoic acid is formed from octacosanol via beta-oxidation. (PMID: 15847942) [HMDB].
Classyfire Subclass	Fatty acids and conjugates
Isotope Atom Count	0.0
Molecular Complexity	327.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P13470
Iupac Name	octacosanoic acid
Prediction Hob	0.0
Class	Fatty Acyls
Veber Rule	False
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	12.9
Superclass	Lipids and lipid-like molecules
Subclass	Fatty acids and conjugates
Gsk 4 400 Rule	False
Molecular Formula	C28H56O2
Prediction Swissadme	0.0
Inchi Key	UTOPWMOLSKOLTQ-UHFFFAOYSA-N
Silicos It Class	Insoluble
Fcsp3	0.9642857142857144
Logs	-7.06
Rotatable Bond Count	26.0
State	Solid
Logd	4.083
Synonyms	1-Octacosanoate, 1-Octacosanoic acid, CH3-[CH2]26-COOH, Montanate, Montanic acid, N-Octacosanoate, n-Octacosanoic acid, N-Octaeicosanoate, N-Octaeicosanoic acid, Octacosancarbonsaeure, Octacosanoate, Octacosanoic acid, Octacosansaeure, Octacosoate, Octacosoic acid, Octaeicosanoate, Octaeicosanoic acid, N-Octacosanoic acid, Octacosanoic acid, 1-2 calcium salt, montanic acid, n-octacosanoic acid, octacosanoic acid
Substituent Name	Very long-chain fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound
Esol Class	Poorly soluble
Functional Groups	CC(=O)O
Compound Name	Octacosanoic acid
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	424.428
Formal Charge	0.0
Monoisotopic Mass	424.428
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	424.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Lipinski Rule Of 5	True
Esol	-9.338074800000001
Inchi	InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
Smiles	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Nring	0.0
Np Classifier Biosynthetic Pathway	Fatty acids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Taxonomy Direct Parent	Very long-chain fatty acids
Np Classifier Superclass	Fatty Acids and Conjugates

1. Outgoing r'ship FOUND_IN to/from Abutilon Grandiflorum (Plant) Rel Props:Reference:
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6. Outgoing r'ship FOUND_IN to/from Albizia Saman (Plant) Rel Props:Reference:ISBN:9788185042084
7. Outgoing r'ship FOUND_IN to/from Allamanda Cathartica (Plant) Rel Props:Reference:ISBN:9788185042138
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9. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:ISBN:9788185042114
12. Outgoing r'ship FOUND_IN to/from Astragalus Sempervirens (Plant) Rel Props:Reference:
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14. Outgoing r'ship FOUND_IN to/from Begonia Glabra (Plant) Rel Props:Reference:
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27. Outgoing r'ship FOUND_IN to/from Cheilocostus Speciosus (Plant) Rel Props:Reference:ISBN:9788171360536
28. Outgoing r'ship FOUND_IN to/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all; Reference:
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34. Outgoing r'ship FOUND_IN to/from Cyclamen Persicum (Plant) Rel Props:Reference:
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36. Outgoing r'ship FOUND_IN to/from Desmodium Elegans (Plant) Rel Props:Reference:ISBN:9788185042084
37. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:ISBN:9788185042053
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41. Outgoing r'ship FOUND_IN to/from Dracaena Draco (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Drimia Indica (Plant) Rel Props:Reference:ISBN:9788172362140
43. Outgoing r'ship FOUND_IN to/from Epimedium Grandiflorum (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
47. Outgoing r'ship FOUND_IN to/from Excoecaria Acerifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
48. Outgoing r'ship FOUND_IN to/from Excoecaria Agallocha (Plant) Rel Props:Reference:
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52. Outgoing r'ship FOUND_IN to/from Excoecaria Oppositifolia (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Garrya Elliptica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Garrya Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
55. Outgoing r'ship FOUND_IN to/from Gelsemium Sempervirens (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
57. Outgoing r'ship FOUND_IN to/from Ginkgo Semen (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
60. Outgoing r'ship FOUND_IN to/from Goupia Tomentosa (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Gratiola Monnieri (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Haloxylon Persicum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Helipterum Gnaphaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
64. Outgoing r'ship FOUND_IN to/from Helipterum Propinquum (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Helipterum Roseum (Plant) Rel Props:Reference:
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67. Outgoing r'ship FOUND_IN to/from Helipterum Tenellum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Helipterum Venustum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Herniaria Glabra (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Hibiscus Cannabinus (Plant) Rel Props:Reference:ISBN:9788172363178
71. Outgoing r'ship FOUND_IN to/from Hopea Glabra (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Horsfieldia Glabra (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Humboldtia Laurifolia (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Hydnocarpus Laurifolia (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Iberis Sempervirens (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Inula Cappa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17539299
79. Outgoing r'ship FOUND_IN to/from Inula Magnifica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Iphigenia Magnifica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Jasminum Grandiflorum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Laggera Alata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Laggera Aurita (Plant) Rel Props:Reference:
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88. Outgoing r'ship FOUND_IN to/from Launaea Aspleniifolia (Plant) Rel Props:Reference:ISBN:9770972795006
89. Outgoing r'ship FOUND_IN to/from Leea Alata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Lens Culinaris (Plant) Rel Props:Reference:ISBN:9770972795006
91. Outgoing r'ship FOUND_IN to/from Leonotis Nepetifolia (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172362461
92. Outgoing r'ship FOUND_IN to/from Litsea Laurifolia (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Maesa Ramentacea (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Magnolia Biloba (Plant) Rel Props:Reference:
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96. Outgoing r'ship FOUND_IN to/from Medinilla Magnifica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
97. Outgoing r'ship FOUND_IN to/from Mesua Beccariana (Plant) Rel Props:Reference:
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102. Outgoing r'ship FOUND_IN to/from Monopteryx Uaucu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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137. Outgoing r'ship FOUND_IN to/from Piper Schmidtii (Plant) Rel Props:Reference:ISBN:9788172362461
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139. Outgoing r'ship FOUND_IN to/from Pluchea Lanceolata (Plant) Rel Props:Reference:ISBN:9780387706375
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179. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
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181. Outgoing r'ship FOUND_IN to/from Senecio Kaempferi (Plant) Rel Props:Reference:
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183. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
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185. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Senecio Miser (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:ISBN:9788185042114
220. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Senna Alata (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Sequoia Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
230. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all
232. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Strobilanthes Callosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084
234. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Synotis Alata (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Terminalia Arjuna (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Terminalia Bellirica (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Terminalia Bialata (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Terminalia Brachystemma (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Terminalia Calamansanay (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Terminalia Catappa (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
244. Outgoing r'ship FOUND_IN to/from Terminalia Citrina (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Terminalia Elliptica (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Terminalia Macroptera (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Terminalia Myriocarpa (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Terminalia Pallida (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Terminalia Procera (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Terminalia Travancorensis (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Thomandersia Laurifolia (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Thunbergia Alata (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Thunbergia Laurifolia (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:ISBN:9788185042084
259. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrinum (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Trifolium Apertum (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Trifolium Diffusum (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Trifolium Fragiferum (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Trifolium Montanum (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Trifolium Pannonicum (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Trifolium Resupinatum (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
273. Outgoing r'ship FOUND_IN to/from Trifolium Subterraneum (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Veratrum Grandiflorum (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Viburnum Grandiflorum (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Virola Oleifera (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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Octacosanoic acid

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Phytochemical Properties

Associated Connections 278

Plant Connections 278