input word = C00054888

Metabolite InformationStructural formula
Name 10-O-Demethylflavasperone 10-gentiobioside
Formula C27H32O15
Mw 596.17412036
CAS RN 200127-93-1
C_ID C00054888
InChIKey CREWSFDYWMXJQL-YCPAWSGYSA-N
InChICode InChI=1S/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3/t15-,16-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES O=C(C=C(C)O1)C2=C1C3=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O4)C=C(OC)C=C3C=C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia tora Ref.
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OrganismCassia tora
ReferenceLund, N.A. et al., JCS, 1953, 2434-2439 (isol)