input word = C00013932

Metabolite InformationStructural formula
Name Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1->6)-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN
C_ID C00013932 ,
InChIKey UPISBTVRUJGIRH-BEYZCNIQNA-N
InChICode InChI=1S/C28H32O16/c1-38-14-4-3-10(5-12(14)30)25-26(39-2)21(34)18-13(31)6-11(7-15(18)42-25)41-28-24(37)22(35)20(33)17(44-28)9-40-27-23(36)19(32)16(8-29)43-27/h3-7,16-17,19-20,22-24,27-33,35-37H,8-9H2,1-2H3/t16-,17+,19+,20+,22-,23+,24+,27-,28+/m0/s1
SMILES c1c(cc(c(c1)OC)O)c1oc2c(c(=O)c1OC)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1[C@@H]([C@H](O)[C@@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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