input word = C00005466

Metabolite InformationStructural formula
Name Quercetin 3-sophoroside-7-glucuronide
Formula C33H38O23
Mw 802.18038753
CAS RN 140163-57-1
C_ID C00005466 ,
InChIKey MBLCMVKVVNMTFV-WRPJGMPJNA-N
InChICode InChI=1S/C33H38O23/c34-6-14-17(39)20(42)24(46)32(52-14)56-29-22(44)18(40)15(7-35)53-33(29)54-27-19(41)16-12(38)4-9(50-31-25(47)21(43)23(45)28(55-31)30(48)49)5-13(16)51-26(27)8-1-2-10(36)11(37)3-8/h1-5,14-15,17-18,20-25,28-29,31-40,42-47H,6-7H2,(H,48,49)/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)c(O)c4)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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