input word = C00014524

Metabolite InformationStructural formula
Name Kamalachalcone B
Formula C51H48O12
Mw 852.314577
CAS RN 213821-34-2
C_ID C00014524 ,
InChIKey ZCIBQLFYIVJGIQ-FDAIYJMWNA-N
InChICode InChI=1S/C51H48O12/c1-24-40(55)29(44(59)34(26(3)52)41(24)56)22-30-45(60)37(33(54)21-19-28-16-12-9-13-17-28)47-35-31(23-50(4,5)62-47)39-49(61-46(30)35)38-43(58)25(2)42(57)36(48(38)63-51(39,6)7)32(53)20-18-27-14-10-8-11-15-27/h8-21,31,39,49,55-60H,22-23H2,1-7H3/b20-18+,21-19+/t31-,39+,49+/m0/s1
SMILES c1(c(c2c3c(c1Cc1c(c(c(c(c1O)C)O)C(=O)C)O)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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OrganismMallotus philippinensis
ReferenceT. Tanaka et al., Chem. Abs., (1998), 129, 272998.