input word = C00005231

Metabolite InformationStructural formula
Name Kaempferol 3-sophoroside-7-glucuronide
3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
Formula C33H38O22
Mw 786.1854729
CAS RN 140163-56-0
C_ID C00005231 ,
InChIKey BMGVSLWMOUPXTF-WRPJGMPJNA-N
InChICode InChI=1S/C33H38O22/c34-7-14-17(38)20(41)24(45)32(51-14)55-29-22(43)18(39)15(8-35)52-33(29)53-27-19(40)16-12(37)5-11(6-13(16)50-26(27)9-1-3-10(36)4-2-9)49-31-25(46)21(42)23(44)28(54-31)30(47)48/h1-6,14-15,17-18,20-25,28-29,31-39,41-46H,7-8H2,(H,47,48)/t14-,15-,17-,18-,20+,21+,22+,23+,24-,25-,28-,29-,31-,32+,33+/m1/s1
SMILES O=C(O)C1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO)[C@@H](O)C(O)C4O[C@@H]4OC(CO)[C@@H](O)C(O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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