input word = C00055328

Metabolite InformationStructural formula
Name Cassiaside C
Formula C27H32O15
Mw 596.17412036
CAS RN 119170-52-4
C_ID C00055328
InChIKey GBGJNKYTLIUCMX-YUMVGKRXSA-N
InChICode InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3/t14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES O=C1OC(C)=CC2=CC3=CC(OC)=CC(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)=C3C(O)=C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia tora Ref.
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