alpha-Bergamotenol

PubChem CID: 5368743

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Compound Synonyms	alpha-Bergamotenol, Bergamotenol, (Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-en-1-ol, 88034-74-6, 2-Penten-1-ol, 5-(2,6-dimethylbicycylo(3.1.1)hept-2-en-6-yl)-2-methyl-, (1S-(1alpha,5alpha,6alpha(Z)))-, Bergamotol, Z-.alpha.-trans-, (z,e)- alpha-bergamotol, .alpha.-trans-Bergamotenol, Trans-(z)-alpha-bergamotol, (Z)-alpha-trans-Bergamotol, (z)-trans- alpha-bergamotol, (Z,E)- .alpha.-Bergamotol, (Z)-.alpha.-trans-Bergamotol, (Z)-trans- .alpha.-Bergamotol, SCHEMBL17123412, 9(10)Z,alpha-trans-Bergamotenol, CHEBI:195981, JGINTSAQGRHGMG-WZUFQYTHSA-N, (2Z)-5-{2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl}-2-methylpent-2-en-1-ol, 5-(2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methyl-2-penten-1-ol-, [1S-[1a,5a,6a(Z)]]-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CC2CC(C1)C2
Np Classifier Class	Bergamotane sesquiterpenoids
Deep Smiles	OC/C=CCCCC)CCC=CC6C6))C)))))))))/C
Heavy Atom Count	16.0
Classyfire Class	Prenol lipids
Description	Constituent of the famine food Santalum album (sandalwood). Flavouring ingredient. alpha-Bergamotenol is found in cereals and cereal products.
Scaffold Graph Node Level	C1CC2CC(C1)C2
Classyfire Subclass	Monoterpenoids
Isotope Atom Count	0.0
Molecular Complexity	326.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-en-1-ol
Prediction Hob	1.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.6
Superclass	Lipids and lipid-like molecules
Subclass	Monoterpenoids
Gsk 4 400 Rule	True
Molecular Formula	C15H24O
Scaffold Graph Node Bond Level	C1=CC2CC(C1)C2
Prediction Swissadme	0.0
Inchi Key	JGINTSAQGRHGMG-WZUFQYTHSA-N
Silicos It Class	Soluble
Fcsp3	0.7333333333333333
Logs	-3.501
Rotatable Bond Count	4.0
Logd	3.344
Synonyms	(z,e)- &alpha, -bergamotol, (Z,e)- alpha-Bergamotol, (z)-&alpha, -trans-bergamotol, (Z)-alpha-trans-Bergamotol, (z)-trans- &alpha, -bergamotol, (Z)-trans- alpha-Bergamotol, 9(10)Z,alpha-trans-Bergamotenol, Trans-(z)-&alpha, -bergamotol, trans-(Z)-alpha-Bergamotol, a-Bergamotenol, Α-bergamotenol, Bergamotenol, (z)- trans-a-bergamotol, (z)-alpha-trans-bergamotol, (z)-α-trans-bergamotol, (z)alpha-trans-bergamotol, a-bergamotol, bergamotol, - (z)-α-trans, trans-(z)-α-bergamotol, α-bergamotol
Esol Class	Moderately soluble
Functional Groups	C/C=C(C)C, CC=C(C)C, CO
Compound Name	alpha-Bergamotenol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	220.183
Formal Charge	0.0
Monoisotopic Mass	220.183
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	220.35
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	1.0
Molecular Framework	Aliphatic homopolycyclic compounds
Lipinski Rule Of 5	True
Esol	-4.218207199999999
Inchi	InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-
Smiles	CC1=CCC2CC1C2(C)CC/C=C(/C)\CO
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Taxonomy Direct Parent	Bicyclic monoterpenoids
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Abutilon Indicum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alpinia Calcarata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058
4. Outgoing r'ship FOUND_IN to/from Ampelocissus Barbata (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
6. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
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9. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
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12. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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17. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
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22. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
26. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199805/06)13:3<148::aid-ffj711>3.0.co;2-y
33. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Arisarum Vulgare (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1496856
36. Outgoing r'ship FOUND_IN to/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9699976
37. Outgoing r'ship FOUND_IN to/from Arthrocnemum Indicum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Bryodesma Indicum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Bulbostylis Barbata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Canarium Album (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Canarium Indicum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Canarium Vulgare (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Cerastium Indicum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Chenopodium Album (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Chenopodiuum Album (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Chloris Barbata (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Chrysanthellum Indicum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Chrysanthemum Boreale (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Chrysanthemum Coronarium (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Chrysanthemum Griffithii (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
56. Outgoing r'ship FOUND_IN to/from Chrysanthemum Lavandulifolium (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Chrysanthemum Leptophyllum (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Chrysanthemum Morifolium (Plant) Rel Props:Source_db:npass_chem_all
59. Outgoing r'ship FOUND_IN to/from Chrysanthemum Myconis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Chrysanthemum Pyrethroides (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Chrysanthemum Tibeticum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Chrysanthemum Uliginosum (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Chrysanthemum X (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Chrysanthemum Zawadskii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Claoxylon Indicum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Clerodendron Indicum (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Clerodendrum Indicum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Clinopodium Vulgare (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Combretum Indicum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Crotalaria Barbata (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Curcuma Amada (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Curcuma Caesia (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Curcuma Domestica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Curcuma Heyneana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Curcuma Inodora (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
85. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Curcuma Mangga (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Curcuma Petiolata (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
90. Outgoing r'ship FOUND_IN to/from Curcuma Pseudomontana (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Curcuma Rubescens (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
93. Outgoing r'ship FOUND_IN to/from Curcuma Xanthorrhiza (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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97. Outgoing r'ship FOUND_IN to/from Cyclea Barbata (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Distemon Indicum (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
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102. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
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104. Outgoing r'ship FOUND_IN to/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all
105. Outgoing r'ship FOUND_IN to/from Galium Album (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Gnaphalium Indicum (Plant) Rel Props:Reference:
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109. Outgoing r'ship FOUND_IN to/from Heliophylum Indicum (Plant) Rel Props:Reference:
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111. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699605
113. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Jasminum Chrysanthemum (Plant) Rel Props:Reference:
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117. Outgoing r'ship FOUND_IN to/from Lamium Album (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Lantana Camara (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1197
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124. Outgoing r'ship FOUND_IN to/from Linum Album (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Lophozia Barbata (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
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133. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Reference:
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139. Outgoing r'ship FOUND_IN to/from Ocimum Album (Plant) Rel Props:Reference:
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142. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Passiflora Edulis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698081
144. Outgoing r'ship FOUND_IN to/from Pentanema Indicum (Plant) Rel Props:Reference:
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148. Outgoing r'ship FOUND_IN to/from Polyscias Scutellaria (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699919
152. Outgoing r'ship FOUND_IN to/from Sandoricum Indicum (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
154. Outgoing r'ship FOUND_IN to/from Sapium Indicum (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Scutellaria Albida (Plant) Rel Props:Reference:
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158. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Reference:
159. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Scutellaria Balcalensis (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
162. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
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168. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Scutellaria Seleriana (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Scutellaria Sieberi (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Sesamum Indicum (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Seseli Indicum (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Solanum Indicum (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Sorghum Vulgare (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
184. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Thermopsis Barbata (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Tiaridium Indicum (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Trichodesma Indicum (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Tricodesma Indicum (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Tripolium Vulgare (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Triticum Vulgare (Plant) Rel Props:Reference:
193. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
194. Outgoing r'ship FOUND_IN to/from Veratrum Album (Plant) Rel Props:Reference:
195. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:
196. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:
197. Outgoing r'ship FOUND_IN to/from Xanthium Indicum (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712114

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Grayu

alpha-Bergamotenol

Graph

Phytochemical Properties

Associated Connections 198

Plant Connections 198