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CHEBI:2516 - Agrimol C

ChEBI IDCHEBI:2516
ChEBI NameAgrimol C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H44O12
Net Charge0
Average Mass668.736
Monoisotopic Mass668.28328
SMILESCCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O
InChIInChI=1S/C36H44O12/c1-8-11-22(37)25-31(43)20(14-18-28(40)16(4)35(47-6)26(33(18)45)23(38)12-9-2)30(42)21(32(25)44)15-19-29(41)17(5)36(48-7)27(34(19)46)24(39)13-10-3/h40-46H,8-15H2,1-7H3
InChIKeyPFWJPXGNICZIQB-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Agrimol C (CHEBI:2516) is a diarylheptanoid (CHEBI:78802)
Synonym  Source
Agrimol CKEGG COMPOUND
Manual XrefsDatabases
C10669KEGG COMPOUND
C00002687KNApSAcK
Registry NumbersSources
CAS:55785-59-6KEGG COMPOUND