Leucophleol
PubChem CID: 15488960
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| Compound Synonyms | Leucophleol, (1R)-1-[(2R,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol, 77063-89-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Np Classifier Class | Pimarane and Isopimarane diterpenoids |
| Deep Smiles | OC[C@@H][C@]C)CC[C@H]C=C6)CC[C@@H][C@]6C)[C@H]O)CCC6C)C))))))))))))))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCC2C(C1)CCC1CCCCC12 |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R)-1-[(2R,4aS,4bS,5R,8aS)-5-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H34O3 |
| Scaffold Graph Node Bond Level | C1=C2CCC3CCCCC3C2CCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QMPZNDBIBKPBLS-QTGPRJIVSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.9 |
| Logs | -4.261 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.974 |
| Synonyms | leucophleol |
| Esol Class | Soluble |
| Functional Groups | CC(C)=CC, CO |
| Compound Name | Leucophleol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 322.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 322.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.7234317999999997 |
| Inchi | InChI=1S/C20H34O3/c1-18(2)9-8-16(22)20(4)14-7-10-19(3,17(23)12-21)11-13(14)5-6-15(18)20/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16+,17-,19+,20+/m0/s1 |
| Smiles | C[C@]1(CC[C@H]2C(=C1)CC[C@@H]3[C@@]2([C@@H](CCC3(C)C)O)C)[C@H](CO)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Leucophloea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Acacia Pubescens (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Actinodaphne Lancifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Aeollanthus Buchnerianus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Aeollanthus Pubescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aeschynanthus Parvifolius (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Agave Americana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Agave Angustifolia (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Agave Aurea (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Agave Cantala (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Agave Cocui (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Agave Deserti (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Agave Huachucensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Agave Rigidissima (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Agave Shawii (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Agave Sisalana (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Agave Utahensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Agave Vivipara (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Agave Xylonacantha (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Anaphalis Cinnamomea (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Andrographis Alata (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Betula Pubescens (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Boronia Alata (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Brickellia Cylindracea (Plant) Rel Props:Reference: - 26. Outgoing r'ship
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FOUND_INto/from Cinchona Ledgeriana (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Cinchona Officinalis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Cinchona Pubescens (Plant) Rel Props:Source_db:npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Cinchona Robusta (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Cinchona Succirubra (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Consolida Pubescens (Plant) Rel Props:Reference: - 47. Outgoing r'ship
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FOUND_INto/from Daphne Lancifolia (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Dendrobium Amoenum (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Dendrobium Amplum (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Dendrobium Aphyllum (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Dendrobium Ariaeflorum (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Dendrobium Aurantiacum (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Reference: - 55. Outgoing r'ship
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FOUND_INto/from Dendrobium Cumulatum (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Dendrobium Densiflorum (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Dendrobium Devosianum (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Dendrobium Loddigesii (Plant) Rel Props:Reference: - 64. Outgoing r'ship
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FOUND_INto/from Dioscorea Alata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 74. Outgoing r'ship
FOUND_INto/from Dioscorea Althaeoides (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Dioscorea Belophylla (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Dioscorea Bulbifera (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Dioscorea Cirrhosa (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Dioscorea Collettii (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Dioscorea Communis (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Dioscorea Composita (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Dioscorea Deltoidea (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Dioscorea Dumetorum (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Dioscorea Esculanta (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Dioscorea Floribunda (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Reference: - 86. Outgoing r'ship
FOUND_INto/from Dioscorea Glabra (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Dioscorea Gracillima (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Dioscorea Hamiltonii (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Dioscorea Hispida (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Dioscorea Nipponica (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Dioscorea Olfersiana (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Dioscorea Oppositifolia (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Dioscorea Panthaica (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Dioscorea Parviflora (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Dioscorea Pentaphylla (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Dioscorea Polystachya (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Dioscorea Prazeri (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Dioscorea Puber (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Dioscorea Purpurea (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Dioscorea Rotundata (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Dioscorea Sativa (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Dioscorea Septemloba (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Dioscorea Spongiosa (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Dioscorea Tenuipes (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Dioscorea Tokoro (Plant) Rel Props:Reference: - 108. Outgoing r'ship
FOUND_INto/from Dioscorea Tomentosa (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Dioscorea Villosa (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Dioscorea Wallichi (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Dioscorea Wallichii (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Dioscorea Zingiberensis (Plant) Rel Props:Reference: - 113. Outgoing r'ship
FOUND_INto/from Dumortiera Hirsuta (Plant) Rel Props:Reference: - 114. Outgoing r'ship
FOUND_INto/from Ehretia Pubescens (Plant) Rel Props:Reference: - 115. Outgoing r'ship
FOUND_INto/from Epimedium Pubescens (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Eucalyptus Alata (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Euphorbia Pubescens (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Fagraea Gracilipes (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Grewia Hirsuta (Plant) Rel Props:Reference: - 120. Outgoing r'ship
FOUND_INto/from Herniaria Hirsuta (Plant) Rel Props:Reference: - 121. Outgoing r'ship
FOUND_INto/from Holarrhena Pubescens (Plant) Rel Props:Reference: - 122. Outgoing r'ship
FOUND_INto/from Ilex Pubescens (Plant) Rel Props:Reference: - 123. Outgoing r'ship
FOUND_INto/from Indigofera Hirsuta (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Kallstroemia Pubescens (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Laggera Alata (Plant) Rel Props:Reference: - 127. Outgoing r'ship
FOUND_INto/from Leea Alata (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Litsea Gracilipes (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Litsea Lancifolia (Plant) Rel Props:Reference: - 130. Outgoing r'ship
FOUND_INto/from Metzgeria Pubescens (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Micromelum Pubescens (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Morinda Pubescens (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Mucuna Hirsuta (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Mussaenda Pubescens (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Naregamia Alata (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Naringi Alata (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Neanotis Hirsuta (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Nymphaea Pubescens (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Onoseris Alata (Plant) Rel Props:Reference: - 141. Outgoing r'ship
FOUND_INto/from Otholobium Pubescens (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Peltogyne Pubescens (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Physalis Pubescens (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Pogostemon Pubescens (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Primula Hirsuta (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Pterygota Alata (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Rapanea Lancifolia (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Schisandra Lancifolia (Plant) Rel Props:Reference: - 149. Outgoing r'ship
FOUND_INto/from Senna Alata (Plant) Rel Props:Reference: - 150. Outgoing r'ship
FOUND_INto/from Senna Hirsuta (Plant) Rel Props:Reference: - 151. Outgoing r'ship
FOUND_INto/from Sideritis Hirsuta (Plant) Rel Props:Reference: - 152. Outgoing r'ship
FOUND_INto/from Siegesbeckia Orientalis (Plant) Rel Props:Reference: - 153. Outgoing r'ship
FOUND_INto/from Sigesbeckia Pubescens (Plant) Rel Props:Reference: - 154. Outgoing r'ship
FOUND_INto/from Solanum Pubescens (Plant) Rel Props:Reference: - 155. Outgoing r'ship
FOUND_INto/from Swertia Alata (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Swertia Pubescens (Plant) Rel Props:Reference: - 157. Outgoing r'ship
FOUND_INto/from Symplocos Beddomei (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Symplocos Caudata (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Reference: - 160. Outgoing r'ship
FOUND_INto/from Symplocos Cochinchinensis (Plant) Rel Props:Reference: - 161. Outgoing r'ship
FOUND_INto/from Symplocos Glomerata (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Symplocos Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 163. Outgoing r'ship
FOUND_INto/from Symplocos Monantha (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Symplocos Paniculata (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Symplocos Racemosa (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Symplocos Setchuensis (Plant) Rel Props:Reference: - 167. Outgoing r'ship
FOUND_INto/from Symplocos Spicata (Plant) Rel Props:Reference: - 168. Outgoing r'ship
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FOUND_INto/from Symplocos Theaefolia (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Synotis Alata (Plant) Rel Props:Reference: - 171. Outgoing r'ship
FOUND_INto/from Syringa Pubescens (Plant) Rel Props:Reference: - 172. Outgoing r'ship
FOUND_INto/from Terminalia Alata (Plant) Rel Props:Reference: - 173. Outgoing r'ship
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FOUND_INto/from Tylophora Hirsuta (Plant) Rel Props:Reference: - 175. Outgoing r'ship
FOUND_INto/from Uncaria Hirsuta (Plant) Rel Props:Reference: - 176. Outgoing r'ship
FOUND_INto/from Uncaria Lancifolia (Plant) Rel Props:Reference: - 177. Outgoing r'ship
FOUND_INto/from Vasconcellea Pubescens (Plant) Rel Props:Reference: - 178. Outgoing r'ship
FOUND_INto/from Vellozia Candida (Plant) Rel Props:Reference: - 179. Outgoing r'ship
FOUND_INto/from Vellozia Nanuzae (Plant) Rel Props:Reference: - 180. Outgoing r'ship
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FOUND_INto/from Vellozia Streptophylla (Plant) Rel Props:Reference: - 182. Outgoing r'ship
FOUND_INto/from Vernonia Anisochaetoides (Plant) Rel Props:Reference: - 183. Outgoing r'ship
FOUND_INto/from Vernonia Anthelmintica (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Vernonia Arborea (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Vernonia Arctioides (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Vernonia Aurea (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Vernonia Brevifolia (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Vernonia Chinense (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Vernonia Chloropappa (Plant) Rel Props:Reference: - 190. Outgoing r'ship
FOUND_INto/from Vernonia Cinerea (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Vernonia Cistifolia (Plant) Rel Props:Reference: - 192. Outgoing r'ship
FOUND_INto/from Vernonia Colorata (Plant) Rel Props:Reference: - 193. Outgoing r'ship
FOUND_INto/from Vernonia Condensata (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Vernonia Echitifolia (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Vernonia Esculenta (Plant) Rel Props:Reference: - 196. Outgoing r'ship
FOUND_INto/from Vernonia Fagifolia (Plant) Rel Props:Reference: - 197. Outgoing r'ship
FOUND_INto/from Vernonia Flexuosa (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Vernonia Guineensis (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Vernonia Lanuginosa (Plant) Rel Props:Reference: - 200. Outgoing r'ship
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FOUND_INto/from Vernonia Lilacina (Plant) Rel Props:Reference: - 202. Outgoing r'ship
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FOUND_INto/from Vernonia Menthaefolia (Plant) Rel Props:Reference: - 204. Outgoing r'ship
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FOUND_INto/from Vernonia Profuga (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Vernonia Pyramidale (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Vernonia Scorpioides (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Vernonia Serratuloides (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Vernonia Steetziana (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Vernonia Tufnellae (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Vernonia Volkameriaefolia (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Vicia Hirsuta (Plant) Rel Props:Reference: