input word = C00014082

Metabolite InformationStructural formula
Name Isovitexin 2''-O-(6'''-feruloyl)glucoside
Formula C37H38O18
Mw 770.20581441
CAS RN 220948-77-6
C_ID C00014082 ,
InChIKey VJSPPRJRRDZQLT-HKIXSQAZNA-N
InChICode InChI=1S/C37H38O18/c1-50-22-10-15(2-8-18(22)40)3-9-26(43)51-14-25-30(45)32(47)34(49)37(54-25)55-36-33(48)29(44)24(13-38)53-35(36)28-20(42)12-23-27(31(28)46)19(41)11-21(52-23)16-4-6-17(39)7-5-16/h2-12,24-25,29-30,32-40,42,44-49H,13-14H2,1H3/b9-3+/t24-,25-,29-,30-,32+,33+,34-,35+,36-,37+/m1/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/c1cc(c(cc1)O)OC)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeBryonia sp. Ref.
PlantaeCucurbitaceaeCucumis sativus Ref.
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