input word = C00014070

Metabolite InformationStructural formula
Name Torosaflavone B 3'-O-beta-D-glucopyranoside
Formula C28H32O14
Mw 592.17920573
CAS RN 141360-87-4
C_ID C00014070 ,
InChIKey UAGXUOZTLLGXAK-JWQKZMSMNA-N
InChICode InChI=1S/C28H32O14/c1-10-23(33)14(32)8-18(39-10)21-13(31)7-19-22(25(21)35)12(30)6-16(40-19)11-3-4-15(38-2)17(5-11)41-28-27(37)26(36)24(34)20(9-29)42-28/h3-7,10,14,18,20,23-24,26-29,31-37H,8-9H2,1-2H3/t10-,14-,18-,20+,23+,24+,26-,27+,28+/m0/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)O)c1cc(c(cc1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia occidentalis Ref.
PlantaeFabaceaeCassia torosa Ref.
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OrganismCassia occidentalis
ReferenceHatano,Phytochem.,52,(1999),1379