input word = C00007899

Metabolite InformationStructural formula
Name Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside)
Formula C34H32O15
Mw 680.17412036
CAS RN 118853-82-0
C_ID C00007899 ,
InChIKey OFSWIHODABQSTC-XXBGIEADNA-N
InChICode InChI=1S/C34H32O15/c1-17(35)46-32-27(16-45-28(41)14-7-19-3-8-21(37)9-4-19)49-34(33(31(32)44)47-18(2)36)48-26-13-10-22(29(42)30(26)43)23(38)11-5-20-6-12-24(39)25(40)15-20/h3-15,27,31-34,37,39-40,42-44H,16H2,1-2H3/b11-5+,14-7+/t27-,31+,32-,33-,34-/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)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens pilosa Ref.
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