input word = C00058046

Metabolite InformationStructural formula
Name Torachrysone 8-beta-gentiobioside
Formula C26H34O14
Mw 570.1948558
CAS RN 245724-09-8
C_ID C00058046
InChIKey XCIHPNCERQKEMU-IFEXPISBSA-N
InChICode InChI=1S/C26H34O14/c1-9-4-11-5-12(36-3)6-13(17(11)20(31)16(9)10(2)28)38-26-24(35)22(33)19(30)15(40-26)8-37-25-23(34)21(32)18(29)14(7-27)39-25/h4-6,14-15,18-19,21-27,29-35H,7-8H2,1-3H3/t14-,15-,18-,19-,21+,22+,23-,24-,25-,26-/m1/s1
SMILES COc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c(C(C)=O)c(C)cc2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia tora Ref.
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OrganismCassia tora
ReferenceShibata, S. et al., Chem. Pharm. Bull., 1969, 17, 454-475 (Torachrysone, isol)