hydrangeifolin I
PubChem CID: 10549806
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| Compound Synonyms | hydrangeifolin I, Compound NP-006165, CHEMBL511744, Benzyl alcohol beta-D-rutinoside, ACon1_002472, AKOS040739644, NCGC00169814-01, NCGC00169814-02, BRD-K77144086-001-01-4, benzyl 6-O-alpha-l-rhamnopyranosyl-beta-d-glucopyranoside, NCGC00169814-02_C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 158.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 29.0 |
| Description | Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | P35354 |
| Iupac Name | (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Class | Organooxygen compounds |
| Xlogp | -2.3 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C19H28O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMUMBCREXHTKFN-VZOUQOBNSA-N |
| Fcsp3 | 0.6842105263157895 |
| Logs | -1.601 |
| Rotatable Bond Count | 6.0 |
| Logd | -0.977 |
| Synonyms | Benzyl alcohol b-D-rutinoside, Benzyl alcohol β-D-rutinoside |
| Compound Name | hydrangeifolin I |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.168 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 416.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Esol | -0.6984260482758622 |
| Inchi | InChI=1S/C19H28O10/c1-9-12(20)14(22)16(24)18(28-9)27-8-11-13(21)15(23)17(25)19(29-11)26-7-10-5-3-2-4-6-10/h2-6,9,11-25H,7-8H2,1H3/t9-,11+,12-,13+,14+,15-,16+,17+,18+,19+/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | O-glycosyl compounds |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Acuminata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Acacia Adunca (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Acacia Arabica (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Acacia Armata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Acacia Aroma (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Acacia Auriculaeformis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Acacia Auriculiformis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Acacia Caesia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Acacia Cambagei (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Acacia Catechu (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Acacia Caven (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Acacia Chundra (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Acacia Concinna (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Acacia Confusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Acacia Dealbata (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Acacia Decurrens (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Acacia Farnesiana (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Acacia Ferruginea (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Acacia Glaucescens (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Acacia Indica (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Acacia Jacquemontii (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Acacia Kempeana (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Acacia Lasiopetala (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Acacia Lemmoni (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Acacia Lenticularis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Acacia Leucophloea (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Acacia Linarioides (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Acacia Mearnsii (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Acacia Melanoxylon (Plant) Rel Props:Reference: - 31. Outgoing r'ship
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FOUND_INto/from Acacia Modesta (Plant) Rel Props:Reference: - 33. Outgoing r'ship
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FOUND_INto/from Acacia Nilotica (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Acacia Pachyphloia (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Acacia Pennata (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Acacia Planifrons (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Acacia Polyacantha (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Acacia Pruinosa (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Acacia Pubescens (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Acacia Pulchella (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Acacia Pycnantha (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Acacia Salicina (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Acacia Saligna (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Acacia Schweinfurthii (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Acacia Senegal (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Acacia Seyal (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Acacia Simplicifolia (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Acacia Sinuata (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Acacia Sparsiflora (Plant) Rel Props:Reference: - 51. Outgoing r'ship
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FOUND_INto/from Acacia Torta (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Acacia Tortilis (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Acacia Victoria (Plant) Rel Props:Reference: - 56. Outgoing r'ship
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FOUND_INto/from Callicarpa Arborea (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Canna Orientalis (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Careya Arborea (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Carthamus Lanatus (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Carthamus Oxyacantha (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 67. Outgoing r'ship
FOUND_INto/from Celtis Orientalis (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Clematis Orientalis (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Commiphora Confusa (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Consolida Orientalis (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Corbichonia Decumbens (Plant) Rel Props:Reference: - 72. Outgoing r'ship
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FOUND_INto/from Datura Arborea (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Davallia Mariesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 75. Outgoing r'ship
FOUND_INto/from Davallia Orientalis (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Davallia Solida (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Digitalis Orientalis (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Dracocephalum Foetidum (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Dracocephalum Heterophyllum (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Dracocephalum Kotschyi (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Dracocephalum Modavicum (Plant) Rel Props:Reference: - 82. Outgoing r'ship
FOUND_INto/from Dracocephalum Moldavica (Plant) Rel Props:Reference: - 83. Outgoing r'ship
FOUND_INto/from Dracocephalum Moldavicum (Plant) Rel Props:Reference: - 84. Outgoing r'ship
FOUND_INto/from Dracocephalum Rupestre (Plant) Rel Props:Reference: - 85. Outgoing r'ship
FOUND_INto/from Dracocephalum Ruyschiana (Plant) Rel Props:Source_db:cmaup_ingredients - 86. Outgoing r'ship
FOUND_INto/from Dracocephalum Stamineum (Plant) Rel Props:Reference: - 87. Outgoing r'ship
FOUND_INto/from Dracocephalum Stramonium (Plant) Rel Props:Reference: - 88. Outgoing r'ship
FOUND_INto/from Dracocephalum Tanguticum (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Elaeagnus Orientalis (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Erica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 91. Outgoing r'ship
FOUND_INto/from Erica Australis (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Erica Cinerea (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Erica Glauca (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Erica Umbellata (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Erica Vagans (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Erythrina Orientalis (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Harpullia Arborea (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Hortia Arborea (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Hyacinthus Orientalis (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Idesia Polycarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 102. Outgoing r'ship
FOUND_INto/from Isodon Adenanthus (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Isodon Adenolomus (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Isodon Albopilosus (Plant) Rel Props:Reference: - 105. Outgoing r'ship
FOUND_INto/from Isodon Amethystoides (Plant) Rel Props:Reference: - 106. Outgoing r'ship
FOUND_INto/from Isodon Angustifolia (Plant) Rel Props:Reference: - 107. Outgoing r'ship
FOUND_INto/from Isodon Bulleyana (Plant) Rel Props:Reference: - 108. Outgoing r'ship
FOUND_INto/from Isodon Calcicola (Plant) Rel Props:Reference: - 109. Outgoing r'ship
FOUND_INto/from Isodon Coetsa (Plant) Rel Props:Reference: - 110. Outgoing r'ship
FOUND_INto/from Isodon Dawoensis (Plant) Rel Props:Reference: - 111. Outgoing r'ship
FOUND_INto/from Isodon Effusa (Plant) Rel Props:Reference: - 112. Outgoing r'ship
FOUND_INto/from Isodon Enanderianus (Plant) Rel Props:Reference: - 113. Outgoing r'ship
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FOUND_INto/from Isodon Flexicaulis (Plant) Rel Props:Reference: - 116. Outgoing r'ship
FOUND_INto/from Isodon Forrestii (Plant) Rel Props:Reference: - 117. Outgoing r'ship
FOUND_INto/from Isodon Gesneroides (Plant) Rel Props:Reference: - 118. Outgoing r'ship
FOUND_INto/from Isodon Henryi (Plant) Rel Props:Reference: - 119. Outgoing r'ship
FOUND_INto/from Isodon Inflexa (Plant) Rel Props:Reference: - 120. Outgoing r'ship
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FOUND_INto/from Isodon Kunmingensis (Plant) Rel Props:Reference: - 124. Outgoing r'ship
FOUND_INto/from Isodon Lasiocarpus (Plant) Rel Props:Reference: - 125. Outgoing r'ship
FOUND_INto/from Isodon Leucophyllus (Plant) Rel Props:Reference: - 126. Outgoing r'ship
FOUND_INto/from Isodon Lihsienensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 127. Outgoing r'ship
FOUND_INto/from Isodon Lophanthoides (Plant) Rel Props:Reference: - 128. Outgoing r'ship
FOUND_INto/from Isodon Loxothyrsa (Plant) Rel Props:Reference: - 129. Outgoing r'ship
FOUND_INto/from Isodon Lungshengensis (Plant) Rel Props:Reference: - 130. Outgoing r'ship
FOUND_INto/from Isodon Macrocalyx (Plant) Rel Props:Reference: - 131. Outgoing r'ship
FOUND_INto/from Isodon Megathyrsus (Plant) Rel Props:Reference: - 132. Outgoing r'ship
FOUND_INto/from Isodon Melissoides (Plant) Rel Props:Reference: - 133. Outgoing r'ship
FOUND_INto/from Isodon Nervosus (Plant) Rel Props:Reference: - 134. Outgoing r'ship
FOUND_INto/from Isodon Nilgherricus (Plant) Rel Props:Reference: - 135. Outgoing r'ship
FOUND_INto/from Isodon Oresbia (Plant) Rel Props:Reference: - 136. Outgoing r'ship
FOUND_INto/from Isodon Pharicus (Plant) Rel Props:Reference: - 137. Outgoing r'ship
FOUND_INto/from Isodon Phyllostachys (Plant) Rel Props:Reference: - 138. Outgoing r'ship
FOUND_INto/from Isodon Rosthornii (Plant) Rel Props:Reference: - 139. Outgoing r'ship
FOUND_INto/from Isodon Rubescens (Plant) Rel Props:Reference: - 140. Outgoing r'ship
FOUND_INto/from Isodon Rugosus (Plant) Rel Props:Reference: - 141. Outgoing r'ship
FOUND_INto/from Isodon Scoparius (Plant) Rel Props:Reference: - 142. Outgoing r'ship
FOUND_INto/from Isodon Sculponeata (Plant) Rel Props:Reference: - 143. Outgoing r'ship
FOUND_INto/from Isodon Sculponeatus (Plant) Rel Props:Reference: - 144. Outgoing r'ship
FOUND_INto/from Isodon Serra (Plant) Rel Props:Reference: - 145. Outgoing r'ship
FOUND_INto/from Isodon Setschwanensis (Plant) Rel Props:Reference: - 146. Outgoing r'ship
FOUND_INto/from Isodon Shikokiana (Plant) Rel Props:Reference: - 147. Outgoing r'ship
FOUND_INto/from Isodon Ternifolia (Plant) Rel Props:Reference: - 148. Outgoing r'ship
FOUND_INto/from Isodon Ternifolius (Plant) Rel Props:Reference: - 149. Outgoing r'ship
FOUND_INto/from Isodon Trichocarpa (Plant) Rel Props:Reference: - 150. Outgoing r'ship
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FOUND_INto/from Isodon Weisiensis (Plant) Rel Props:Reference: - 154. Outgoing r'ship
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FOUND_INto/from Isodon Wikstroemioides (Plant) Rel Props:Reference: - 156. Outgoing r'ship
FOUND_INto/from Isodon Xerophilus (Plant) Rel Props:Reference: - 157. Outgoing r'ship
FOUND_INto/from Liquidambar Orientalis (Plant) Rel Props:Reference: - 158. Outgoing r'ship
FOUND_INto/from Lonicera Confusa (Plant) Rel Props:Reference: - 159. Outgoing r'ship
FOUND_INto/from Mastixia Arborea (Plant) Rel Props:Reference: - 160. Outgoing r'ship
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FOUND_INto/from Mollolus Polycarpa (Plant) Rel Props:Reference: - 162. Outgoing r'ship
FOUND_INto/from Myrica Arborea (Plant) Rel Props:Reference: - 163. Outgoing r'ship
FOUND_INto/from Nauclea Orientalis (Plant) Rel Props:Reference: - 164. Outgoing r'ship
FOUND_INto/from Ochrosia Confusa (Plant) Rel Props:Reference: - 165. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference: - 166. Outgoing r'ship
FOUND_INto/from Perriera Orientalis (Plant) Rel Props:Reference: - 167. Outgoing r'ship
FOUND_INto/from Persicaria Orientalis (Plant) Rel Props:Reference: - 168. Outgoing r'ship
FOUND_INto/from Phoebe Chemensii (Plant) Rel Props:Reference: - 169. Outgoing r'ship
FOUND_INto/from Phoebe Cinnamomifolia (Plant) Rel Props:Reference: - 170. Outgoing r'ship
FOUND_INto/from Phoebe Clemensii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 171. Outgoing r'ship
FOUND_INto/from Phoebe Formosana (Plant) Rel Props:Reference: - 172. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Reference: - 173. Outgoing r'ship
FOUND_INto/from Phoebe Lanceolata (Plant) Rel Props:Reference: - 174. Outgoing r'ship
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FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Reference: - 178. Outgoing r'ship
FOUND_INto/from Reissantia Arborea (Plant) Rel Props:Reference: - 179. Outgoing r'ship
FOUND_INto/from Scutellaria Orientalis (Plant) Rel Props:Reference: - 180. Outgoing r'ship
FOUND_INto/from Sida Acuta (Plant) Rel Props:Reference: - 181. Outgoing r'ship
FOUND_INto/from Sida Orientalis (Plant) Rel Props:Reference: - 182. Outgoing r'ship
FOUND_INto/from Siegesbeckia Orientalis (Plant) Rel Props:Reference: - 183. Outgoing r'ship
FOUND_INto/from Sigesbeckia Orientalis (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Sorbaria Arborea (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Spiraea Japonica (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Stipa Orientalis (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Thuja Orientalis (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Tragopogon Orientalis (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Trema Orientalis (Plant) Rel Props:Reference: - 190. Outgoing r'ship
FOUND_INto/from Trewia Polycarpa (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Typha Orientalis (Plant) Rel Props:Reference: - 192. Outgoing r'ship
FOUND_INto/from Uncaria Orientalis (Plant) Rel Props:Reference: - 193. Outgoing r'ship
FOUND_INto/from Urochloa Decumbens (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Vernonia Arborea (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Vismia Orientalis (Plant) Rel Props:Reference: - 196. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all - 197. Outgoing r'ship
FOUND_INto/from Woodwardia Orientalis (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Wrightia Arborea (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Wulfenia Orientalis (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Zosima Orientalis (Plant) Rel Props:Reference: