Metatricycloene (CHEBI:210496)

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CHEBI:210496 - Metatricycloene

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ChEBI ID	CHEBI:210496
ChEBI Name	Metatricycloene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H23NO4
Net Charge	0
Average Mass	365.429
Monoisotopic Mass	365.16271
SMILES	NC(=O)/C=C/C=C/C1C=CC2C=CC3OC(/C=C/C=C/C=C/C(=O)O)C1C23
InChI	InChI=1S/C22H23NO4/c23-19(24)9-6-5-7-15-11-12-16-13-14-18-22(16)21(15)17(27-18)8-3-1-2-4-10-20(25)26/h1-18,21-22H,(H2,23,24)(H,25,26)/b2-1+,7-5+,8-3+,9-6+,10-4+
InChIKey	AQEGYTZKJNBFQS-KIMWIMGTSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	PubMed (27447056)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Metatricycloene (CHEBI:210496) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2E,4E,6E)-7-[10-[(1E,3E)-5-amino-5-oxopenta-1,3-dienyl]-3-oxatricyclo[5.3.1.04,11]undeca-5,8-dien-2-yl]hepta-2,4,6-trienoic acid

Manual Xrefs	Databases
78444607	ChemSpider