CHEBI:212389 - Anthracophyllic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anthracophyllic acid
ChEBI ID CHEBI:212389
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H15NO5
Net Charge 0
Average Mass 289.287
Monoisotopic Mass 289.09502
InChI InChI=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
InChIKey URLXNUFTDUXVQZ-VFZGTOFNSA-N
SMILES O=C1O[C@@]2(NC=C(C2=O)[C@H]3CC=C(C(=O)O)CC3)C=C1C
Metabolite of Species Details
Anthracophyllumspecies BCC18695 (NCBI:txid1392723) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78437467 ChemSpider
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