input word = C00054111

Metabolite InformationStructural formula
Name Chrysophanol 8-gentiobioside
Formula C27H30O14
Mw 578.16355567
CAS RN 54944-38-6
C_ID C00054111
InChIKey FKODDFZWQVWOAW-ONMHTNRHSA-N
InChICode InChI=1S/C27H30O14/c1-9-5-11-17(21(33)16-10(18(11)30)3-2-4-12(16)29)13(6-9)39-27-25(37)23(35)20(32)15(41-27)8-38-26-24(36)22(34)19(31)14(7-28)40-26/h2-6,14-15,19-20,22-29,31-32,34-37H,7-8H2,1H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES OC1=C2C(C(C(C=C(C)C=C3O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=C3C2=O)=O)=CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia tora Ref.
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