input word = C00014081

Metabolite InformationStructural formula
Name Isovitexin 2''-O-(6'''-(E)-p-coumaroyl)glucoside 4'-O-glucoside
Formula C42H46O22
Mw 902.24807316
CAS RN 372113-51-4
C_ID C00014081 ,
InChIKey QYVCMCHTBHFWCZ-SCGAOFJONA-N
InChICode InChI=1S/C42H46O22/c43-13-24-31(50)36(55)40(64-42-38(57)35(54)32(51)26(63-42)15-58-27(48)10-3-16-1-6-18(45)7-2-16)39(61-24)29-21(47)12-23-28(33(29)52)20(46)11-22(60-23)17-4-8-19(9-5-17)59-41-37(56)34(53)30(49)25(14-44)62-41/h1-12,24-26,30-32,34-45,47,49-57H,13-15H2/b10-3+/t24-,25+,26-,30+,31+,32+,34-,35-,36-,37+,38-,39-,40+,41+,42-/m0/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucumis sativus Ref.
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