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CHEBI:67521 - (-)-gambogic acid

ChEBI IDCHEBI:67521
ChEBI Name(-)-gambogic acid
Stars
DefinitionA natural product found in Garcinia hanburyi.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H44O8
Net Charge0
Average Mass628.762
Monoisotopic Mass628.30362
SMILES[H][C@@]12C[C@@]3([H])C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]41[C@@](C/C=C(/C)C(=O)O)(OC2(C)C)C3=O)O[C@](C)(CCC=C(C)C)C=C6
InChIInChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1
InChIKeyGEZHEQNLKAOMCA-RRZNCOCZSA-N
Species of MetaboliteComponentSourceComments
Garcinia hanburyi (ncbitaxon:231906) - PubMed (21486005) Extract of gamboge,a resin exudate from plant
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(-)-gambogic acid (CHEBI:67521) has role metabolite (CHEBI:25212)
(-)-gambogic acid (CHEBI:67521) is a pyranoxanthones (CHEBI:71238)
Synonyms  Source
Guttic acidChEBI
beta-GuttiferinChEBI
(2Z)-4-[(1S,2S,8R,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0[2,15].0[2,19].0[4,13].0[6,11]]docosa-4(13),5,9, 11,15-pentaen-19-yl]-2-methyl-2-butenoic acidChEBI
Manual XrefsDatabases
C00002950KNApSAcK
C10062KEGG COMPOUND
Registry NumbersSources
CAS:2752-65-0ChemIDplus
CAS:2752-65-0KEGG COMPOUND
Citations