input word = C00014078

Metabolite InformationStructural formula
Name Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside
6'''-Feruloylsaponarin
Formula C37H38O18
Mw 770.20581441
CAS RN 212271-12-0
C_ID C00014078 ,
InChIKey QPRAHMMZLWQOGS-JOZWAXLWNA-N
InChICode InChI=1S/C37H38O18/c1-50-21-10-15(2-8-18(21)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-20(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25+,29+,30+,32-,33-,34-,35+,36-,37+/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)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O)[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene pratensis Ref.
PlantaePoaceaeHordeum vulgare Ref.
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