Coibacin A (CHEBI:199061)

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CHEBI:199061 - Coibacin A

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ChEBI ID	CHEBI:199061
ChEBI Name	Coibacin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H24O2
Net Charge	0
Average Mass	284.399
Monoisotopic Mass	284.17763
SMILES	C[C@H]1C[C@@H]1/C=C/C=C/CC/C=C/C=C/[C@@H]1CC=CC(=O)O1
InChI	InChI=1S/C19H24O2/c1-16-15-17(16)11-8-6-4-2-3-5-7-9-12-18-13-10-14-19(20)21-18/h4-12,14,16-18H,2-3,13,15H2,1H3/b6-4+,7-5+,11-8+,12-9+/t16-,17-,18+/m0/s1
InChIKey	DUZRSWWIBKKPQI-TXOHDOJXSA-N

Species of Metabolite	Component	Source	Comments
Oscillatoriaspecies (ncbitaxon:1159)	-	PubMed (22794317)

ChEBI Ontology

Outgoing Relation(s)
	Coibacin A (CHEBI:199061) is a pyranone (CHEBI:37963)

IUPAC Name
(2S)-2-[(1E,3E,7E,9E)-10-[(1S,2S)-2-methylcyclopropyl]deca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one

Manual Xrefs	Databases
78439593	ChemSpider