input word = C00014513

Metabolite InformationStructural formula
Name Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
Formula C33H32O15
Mw 668.17412036
CAS RN 142628-34-0
C_ID C00014513 ,
InChIKey CXLJITRXRSNEQL-WEHOFHDSNA-N
InChICode InChI=1S/C33H32O15/c1-16(34)45-15-26-30(42)31(43)32(48-27(39)12-6-18-4-9-21(36)22(37)13-18)33(47-26)46-25-11-7-19(28(40)29(25)41)20(35)8-3-17-5-10-24(44-2)23(38)14-17/h3-14,26,30-33,36-38,40-43H,15H2,1-2H3/b8-3+,12-6+/t26-,30-,31-,32+,33+/m0/s1
SMILES c1(c(c(c(cc1)C(=O)/C=C/c1ccc(c(c1)O)OC)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)COC(=O)C)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens frondosa Ref.
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