input word = C00013913

Metabolite InformationStructural formula
Name Isorhamnetin 3-apiosyl-(1->2)-glucoside
Quercetin 3'-methyl ether 3-apiosyl-(1->2)-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 512172-32-6
C_ID C00013913 ,
InChIKey JOWADLZPYYLHMA-NWGFORMPNA-N
InChICode InChI=1S/C27H30O16/c1-38-14-4-10(2-3-12(14)31)21-22(19(34)17-13(32)5-11(30)6-15(17)40-21)42-25-23(20(35)18(33)16(7-28)41-25)43-26-24(36)27(37,8-29)9-39-26/h2-6,16,18,20,23-26,28-33,35-37H,7-9H2,1H3/t16-,18-,20-,23+,24+,25-,26-,27-/m0/s1
SMILES c1c(cc(c(c1)O)OC)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@](O)(CO)CO1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia galamensis Ref.
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