Emericellene A (CHEBI:222548)

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CHEBI:222548 - Emericellene A

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ChEBI ID	CHEBI:222548
ChEBI Name	Emericellene A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38O2
Net Charge	0
Average Mass	370.577
Monoisotopic Mass	370.28718
SMILES	CC(C)=CCC[C@]1(C=O)[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1[C@@]1(CC2)CO1
InChI	InChI=1S/C25H38O2/c1-19(2)7-6-15-24(17-26)22-12-10-20(3)8-5-9-21(4)11-13-23(24)25(16-14-22)18-27-25/h7,9-10,17,22-23H,5-6,8,11-16,18H2,1-4H3/b20-10+,21-9+/t22-,23+,24-,25+/m0/s1
InChIKey	CFTIGVMTUOJNLU-MPEFEAGKSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (24251417)

ChEBI Ontology

Outgoing Relation(s)
	Emericellene A (CHEBI:222548) is a sesterterpenoid (CHEBI:26660)

IUPAC Name
(1R,3E,7E,11R,12S,15S)-4,8-dimethyl-15-(4-methylpent-3-enyl)spiro[bicyclo[9.3.1]pentadeca-3,7-diene-12,2'-oxirane]-15-carbaldehyde

Manual Xrefs	Databases
78442667	ChemSpider