input word = C00007896

Metabolite InformationStructural formula
Name Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside)
Formula C32H30O14
Mw 638.16355567
CAS RN 118853-83-1
C_ID C00007896 ,
InChIKey WKVRKYAYLUKIBW-GRZVRPFQNA-N
InChICode InChI=1S/C32H30O14/c1-16(33)44-31-25(15-43-26(38)13-6-17-2-7-19(34)8-3-17)46-32(30(42)29(31)41)45-24-12-9-20(27(39)28(24)40)21(35)10-4-18-5-11-22(36)23(37)14-18/h2-14,25,29-32,34,36-37,39-42H,15H2,1H3/b10-4+,13-6+/t25-,29-,30-,31-,32-/m1/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1cc(c(cc1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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