input word = C00005226

Metabolite InformationStructural formula
Name Robinin
Formula C33H40O19
Mw 740.2163791
CAS RN 301-19-9,81992-85-0
C_ID C00005226 ,
InChIKey PEFASEPMJYRQBW-LUUUVORTNA-N
InChICode InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11+,17+,19-,20-,21-,23-,24-,25-,26-,27+,28+,31+,32-,33-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRauvolfia verticillata Ref.
PlantaeApocynaceaeRhazya stricta Ref.
PlantaeAsteraceaeSenecio spp. Ref.
PlantaeCactaceaeCephalocereus senilis Ref.
PlantaeCrassulaceaeRhodiola rosea Ref.
PlantaeDryopteridaceaeDryopteris spp. Ref.
PlantaeFabaceaeAstragalus falcatus Ref.
PlantaeFabaceaeAstragalus shikokianus Ref.
PlantaeFabaceaeAstragalus torrentum Ref.
PlantaeFabaceaeCanavalia gladiata Ref.
PlantaeFabaceaeLathyrus spp. Ref.
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaePueraria lobata Ref.
PlantaeFabaceaeRobinia pseudoacacia Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeFabaceaeVicia spp. Ref.
PlantaeFabaceaeVigna spp. Ref.
PlantaeGentianaceaeEustoma grandiflorum Ref.
PlantaeLiliaceaeLilium regale Ref.
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