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CHEBI:212389 - Anthracophyllic acid

ChEBI IDCHEBI:212389
ChEBI NameAnthracophyllic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H15NO5
Net Charge0
Average Mass289.287
Monoisotopic Mass289.09502
SMILESCC1=C[C@]2(NC=C([C@H]3CC=C(C(=O)O)CC3)C2=O)OC1=O
InChIInChI=1S/C15H15NO5/c1-8-6-15(21-14(8)20)12(17)11(7-16-15)9-2-4-10(5-3-9)13(18)19/h4,6-7,9,16H,2-3,5H2,1H3,(H,18,19)/t9-,15-/m0/s1
InChIKeyURLXNUFTDUXVQZ-VFZGTOFNSA-N
Species of MetaboliteComponentSourceComments
Anthracophyllumspecies BCC18695 (ncbitaxon:1392723) - DOI (10.1016/j.phytol.2013.04.006)
ChEBI Ontology
Outgoing Relation(s)
Anthracophyllic acid (CHEBI:212389) is a carboxylic ester (CHEBI:33308)
Anthracophyllic acid (CHEBI:212389) is a ketone (CHEBI:17087)
IUPAC Name 
(4R)-4-[(5S)-3-methyl-2,9-dioxo-1-oxa-6-azaspiro[4.4]nona-3,7-dien-8-yl]cyclohexene-1-carboxylic acid
Manual XrefsDatabases
78437467ChemSpider