input word = C00019745

Metabolite InformationStructural formula
Name 6,7-Dihydroxy-3'-methoxy-4',5'-methylenedioxyisoflavone 6-O-(6''-xylosylglucoside)
Formula C28H30O16
Mw 622.15338491
CAS RN 557110-99-3
C_ID C00019745 ,
InChIKey YIADNKPSPOPEJL-FSXIVNCQNA-N
InChICode InChI=1S/C28H30O16/c1-37-17-2-10(3-18-26(17)42-9-41-18)12-6-38-15-5-13(29)16(4-11(15)20(12)31)43-28-25(36)23(34)22(33)19(44-28)8-40-27-24(35)21(32)14(30)7-39-27/h2-6,14,19,21-25,27-30,32-36H,7-9H2,1H3/t14-,19-,21+,22+,23-,24+,25+,27+,28+/m0/s1
SMILES c1(c(cc2c(c1)occ(c2=O)c1cc2c(c(c1)OC)OCO2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeAmpelopsis grossedentata Ref.
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