input word = C00060192

Metabolite InformationStructural formula
Name (1S,1'S)-1,1'-C-[(2R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-6,8-diyl]bis[1,5-anhydro-D-glucitol]
Formula C27H34O16
Mw 614.18468504
CAS RN 1616509-82-0
C_ID C00060192
InChIKey SPRRLZMLCKUCLC-DJGYKHDMSA-N
InChICode InChI=1S/C27H34O16/c28-5-12-17(34)20(37)22(39)26(41-12)14-16(33)8-4-11(32)24(7-1-2-9(30)10(31)3-7)43-25(8)15(19(14)36)27-23(40)21(38)18(35)13(6-29)42-27/h1-3,11-13,17-18,20-24,26-40H,4-6H2/t11?,12-,13-,17-,18-,20+,21+,22-,23-,24-,26+,27+/m1/s1
SMILES OCC1OC(c2c(O)c3c(c(C4OC(CO)C(O)C(O)C4O)c2O)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVicia faba Ref.
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