Caespitol

PubChem CID: 14314413

Connections displayed (default: 10).

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Compound Synonyms	Caespitol, 50656-64-9, CHEBI:80937, (2R,3R,5R)-5-bromo-2-[(1S,3S,4S)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-ol, CHEMBL500561, DTXSID80558791, C17111, Q27154910
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	20.0
Isotope Atom Count	0.0
Molecular Complexity	379.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(2R,3R,5R)-5-bromo-2-[(1S,3S,4S)-3-bromo-4-chloro-4-methylcyclohexyl]-2,6,6-trimethyloxan-3-ol
Prediction Hob	1.0
Xlogp	4.1
Molecular Formula	C15H25Br2ClO2
Prediction Swissadme	0.0
Inchi Key	ZAULPZAMCNCFDT-SYPGZIFDSA-N
Fcsp3	1.0
Logs	-4.585
Rotatable Bond Count	1.0
Logd	3.977
Compound Name	Caespitol
Prediction Hob Swissadme	0.0
Exact Mass	431.989
Formal Charge	0.0
Monoisotopic Mass	429.991
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	432.6
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	0.0
Esol	-5.0140687999999995
Inchi	InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,18)11(17)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11-,12+,14-,15+/m0/s1
Smiles	C[C@@]1(CC[C@@H](C[C@@H]1Br)[C@@]2([C@@H](C[C@H](C(O2)(C)C)Br)O)C)Cl
Nring	2.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Abutilon Graveolens (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aesculus Glabra (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artemisia Juncea (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Asteriscus Graveolens (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Astragalus Graveolens (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Begonia Glabra (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Boswellia Glabra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Bougainvillea Glabra (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Brassica Juncea (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Bursera Graveolens (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Casearia Graveolens (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Ceropegia Juncea (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Chamaecyparis Obtusa (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Clinopodium Graveolens (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Crotalaria Juncea (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Crotolaria Juncea (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Cymbidium Iridioides (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Delphinium Andersoni (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Delphinium Barbeyi (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Delphinium Brownii (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Delphinium Brunonianum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Delphinium Caeruleum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Delphinium Campylocentrum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Delphinium Cashmerianum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Delphinium Confusum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Delphinium Consolida (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Delphinium Cyphoplectrum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Delphinium Denudatum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Delphinium Dictyocarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
35. Outgoing r'ship FOUND_IN to/from Delphinium Elatum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Delphinium Fangshanense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Delphinium Giraldii (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Delphinium Glaciale (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Delphinium Hybr (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Delphinium Iliense (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Delphinium Nuttallianum (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Delphinium Occidentale (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Delphinium Paciflorum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Delphinium Roylei (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Delphinium Semibarbatum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Delphinium Shawurense (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Delphinium Speciosum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Delphinium Staphisagria (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Delphinium Tatsienense (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Delphinium Tricorne (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Delphinium Trifoliolatum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Delphinium Vestitum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Delphinium Virgatum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Delphinium Viscosum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Delphinium Yunnanense (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Delphinium Zalil (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Dioscorea Glabra (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Dittrichia Graveolens (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Gordonia Obtusa (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Grewia Obtusa (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Helichrysum Graveolens (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Herniaria Glabra (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Hopea Glabra (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Horsfieldia Glabra (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Juniperus Ashei (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Juniperus Bermudiana (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Juniperus Brevifolia (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Juniperus Chinensis (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Juniperus Communis (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Juniperus Drupacea (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Juniperus Formosana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Juniperus Horizontalis (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Juniperus Indica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Juniperus Macropoda (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Juniperus Occidentalis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Juniperus Oxycedrus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Juniperus Phoenicea (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Juniperus Polycarpos (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Juniperus Procera (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Juniperus Pseudosabina (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Juniperus Recurva (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Juniperus Sabina (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Juniperus Semiglobosa (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
92. Outgoing r'ship FOUND_IN to/from Juniperus Silicicola (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Juniperus Thurifera (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
98. Outgoing r'ship FOUND_IN to/from Lespedeza Juncea (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Ligularia Altaica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Ligularia Amplexicaule (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
102. Outgoing r'ship FOUND_IN to/from Ligularia Clivorum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Ligularia Cymbulifera (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Ligularia Dentata (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Ligularia Dictyoneura (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Ligularia Fischeri (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Ligularia Hodgsonii (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Ligularia Hookeri (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Ligularia Intermedia (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Ligularia Jacquemontiana (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Ligularia Lamarum (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Ligularia Lapathifolia (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Ligularia Macrophylla (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Ligularia Muliensis (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Ligularia Nelumbifolia (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Ligularia Platyglossa (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Ligularia Pleurocaulis (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Ligularia Przewalskii (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Ligularia Sagitta (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Ligularia Songarica (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Ligularia Stenocephala (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Luffa Graveolens (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Malpighia Glabra (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Pelargonium Graveolens (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Peucedanum Dhana (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Peucedanum Govanianum (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Peucedanum Grande (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
131. Outgoing r'ship FOUND_IN to/from Peucedanum Japonicum (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Peucedanum Longifolium (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Peucedanum Morisonii (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Peucedanum Nagpurense (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Peucedanum Oroselinum (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Peucedanum Ostruthium (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Peucedanum Palustre (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Peucedanum Praeruptorum (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Peucedanum Rubricaule (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Peucedanum Ruthenicum (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Peucedanum Stenocarpum (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Peucedanum Terebinthaceum (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Plumeria Obtusa (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Polyscias Scutellaria (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Ruta Graveolens (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Scutellaria Albida (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Scutellaria Altissima (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Scutellaria Amoena (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Scutellaria Baicalensis (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Scutellaria Balcalensis (Plant) Rel Props:Reference:
154. Outgoing r'ship FOUND_IN to/from Scutellaria Barbata (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Scutellaria Discolor (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Scutellaria Epilobifolia (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Scutellaria Galericulata (Plant) Rel Props:Reference:
158. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
159. Outgoing r'ship FOUND_IN to/from Scutellaria Hypericifolia (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Scutellaria Indica (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Scutellaria Lateriflora (Plant) Rel Props:Reference:
162. Outgoing r'ship FOUND_IN to/from Scutellaria Likiangensis (Plant) Rel Props:Reference:
163. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
164. Outgoing r'ship FOUND_IN to/from Scutellaria Prostata (Plant) Rel Props:Reference:
165. Outgoing r'ship FOUND_IN to/from Scutellaria Przewalskii (Plant) Rel Props:Reference:
166. Outgoing r'ship FOUND_IN to/from Scutellaria Rehderiana (Plant) Rel Props:Reference:
167. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:
168. Outgoing r'ship FOUND_IN to/from Scutellaria Seleriana (Plant) Rel Props:Reference:
169. Outgoing r'ship FOUND_IN to/from Scutellaria Sieberi (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Scutellaria Viscidula (Plant) Rel Props:Reference:
171. Outgoing r'ship FOUND_IN to/from Sinapis Juncea (Plant) Rel Props:Reference:
172. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
173. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
174. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrinum (Plant) Rel Props:Reference:
175. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Reference:
176. Outgoing r'ship FOUND_IN to/from Trifolium Apertum (Plant) Rel Props:Reference:
177. Outgoing r'ship FOUND_IN to/from Trifolium Diffusum (Plant) Rel Props:Reference:
178. Outgoing r'ship FOUND_IN to/from Trifolium Dubium (Plant) Rel Props:Reference:
179. Outgoing r'ship FOUND_IN to/from Trifolium Fragiferum (Plant) Rel Props:Reference:
180. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
181. Outgoing r'ship FOUND_IN to/from Trifolium Hybridum (Plant) Rel Props:Reference:
182. Outgoing r'ship FOUND_IN to/from Trifolium Montanum (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
184. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:
185. Outgoing r'ship FOUND_IN to/from Trifolium Pretense (Plant) Rel Props:Reference:
186. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:
187. Outgoing r'ship FOUND_IN to/from Trifolium Resupinatum (Plant) Rel Props:Reference:
188. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Reference:
189. Outgoing r'ship FOUND_IN to/from Trifolium Subterraneum (Plant) Rel Props:Reference:
190. Outgoing r'ship FOUND_IN to/from Tripolium Pannonicum (Plant) Rel Props:Reference:
191. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
192. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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Caespitol

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Phytochemical Properties

Associated Connections 192

Plant Connections 192