input word = C00005442

Metabolite InformationStructural formula
Name Quercetin 3-(2Gal-apiosylrobinobioside)
Formula C32H38O20
Mw 742.19564366
CAS RN 165880-62-6
C_ID C00005442 ,
InChIKey UPVDFUGORYNXMW-HXXKQPLBNA-N
InChICode InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10-,17-,19-,20+,22-,23+,24-,27-,28+,29+,30+,31-,32+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O[C@@H]3OCC(O)(CO)[C@@H]3O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium pallidicaule Ref.
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