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CHEBI:5276 - Garcinol

ChEBI IDCHEBI:5276
ChEBI NameGarcinol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H50O6
Net Charge0
Average Mass602.812
Monoisotopic Mass602.36074
SMILESC=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O
InChIInChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1
InChIKeyQDKLRKZQSOQWJQ-SMDXAGPFSA-N
ChEBI Ontology
Outgoing Relation(s)
Garcinol (CHEBI:5276) is a monoterpenoid (CHEBI:25409)
Synonym  Source
GarcinolKEGG COMPOUND
Manual XrefsDatabases
C09929KEGG COMPOUND
C00002991KNApSAcK
Registry NumbersSources
CAS:78824-30-3KEGG COMPOUND