input word = C00060968

Metabolite InformationStructural formula
Name 3-(3,4-Dimethoxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
Formula C28H34O12
Mw 562.20502655
CAS RN 234761-02-5
C_ID C00060968
InChIKey AQOVBCDOFOOETK-KAPITKBASA-N
InChICode InChI=1S/C28H34O12/c1-28(2,35)8-7-14-18(39-27-25(34)24(33)23(32)20(11-29)40-27)10-16(30)21-22(31)15(12-38-26(14)21)13-5-6-17(36-3)19(9-13)37-4/h5-6,9-10,12,20,23-25,27,29-30,32-35H,7-8,11H2,1-4H3/t20-,23-,24+,25-,27-/m1/s1
SMILES COc1ccc(-c2coc3c(CCC(C)(C)O)c(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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OrganismGlycine max
Referencehttps://doi.org/10.1021/NP980566P