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 c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@H]([C@@](CO1)(O)CO)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium pallidicaule Ref.
zoom in