input word = C00014523

Metabolite InformationStructural formula
Name Kamalachalcone A
Formula C42H40O8
Mw 672.27231825
CAS RN 213821-33-1
C_ID C00014523 ,
InChIKey RPVZMUGANNMZGT-ZFCAEVIWNA-N
InChICode InChI=1S/C42H40O8/c1-22-34(45)30(27(43)19-17-24-13-9-7-10-14-24)39-32(35(22)46)40-33(42(5,6)50-39)26-21-41(3,4)49-38-29(26)37(48-40)23(2)36(47)31(38)28(44)20-18-25-15-11-8-12-16-25/h7-20,26,33,40,45-47H,21H2,1-6H3/b19-17+,20-18+/t26-,33+,40+/m0/s1
SMILES c1(c(c2c3c(c1C)O[C@H]1[C@@H]([C@H]3CC(O2)(C)C)C(Oc2c1c(c(c(c2C(=O)/C=C/c1ccccc1)O)C)O)(C)C)C(=O)/C=C/c1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMallotus philippensis Ref.
PlantaeEuphorbiaceaeMallotus philippinensis Ref.
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