input word = C00006325

Metabolite InformationStructural formula
Name Vitexin 7-O-glucoside 2''-p-coumarate
Formula C36H36O17
Mw 740.19524973
CAS RN 93446-17-4
C_ID C00006325 ,
InChIKey PXNSTKATGVBLJY-CRTRLVFDNA-N
InChICode InChI=1S/C36H36O17/c37-13-23-29(45)31(47)35(53-25(43)10-3-15-1-6-17(39)7-2-15)34(50-23)27-22(51-36-32(48)30(46)28(44)24(14-38)52-36)12-20(42)26-19(41)11-21(49-33(26)27)16-4-8-18(40)9-5-16/h1-12,23-24,28-32,34-40,42,44-48H,13-14H2/b10-3+/t23-,24+,28+,29+,30-,31-,32-,34-,35-,36+/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)OC(=O)/C=C/c1ccc(cc1)O)oc(cc2=O)c1ccc(cc1)O)O)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
PlantaeMolluginaceaeMollugo oppositifolia Ref.
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