input word = C00014510

Metabolite InformationStructural formula
Name Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
Formula C32H30O15
Mw 654.15847029
CAS RN 142628-30-6
C_ID C00014510 ,
InChIKey IBRTYDZLUQXQRB-ROEIYUKKNA-N
InChICode InChI=1S/C32H30O15/c1-15(33)44-14-25-29(42)30(43)31(47-26(39)11-5-17-4-9-21(36)23(38)13-17)32(46-25)45-24-10-6-18(27(40)28(24)41)19(34)7-2-16-3-8-20(35)22(37)12-16/h2-13,25,29-32,35-38,40-43H,14H2,1H3/b7-2+,11-5+/t25-,29-,30+,31-,32-/m1/s1
SMILES CC(=O)OCC1O[C@@H](Oc2ccc(C(=O)/C=C/c3ccc(O)c(O)c3)c(O)c2O)C(OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBidens frondosa Ref.
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