Emericellene B (CHEBI:210347)

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CHEBI:210347 - Emericellene B

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ChEBI ID	CHEBI:210347
ChEBI Name	Emericellene B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H38O3
Net Charge	0
Average Mass	386.576
Monoisotopic Mass	386.28210
SMILES	CC(C)=CCC[C@]1(C(=O)O)[C@H]2C/C=C(\C)CC/C=C(\C)CC[C@H]1[C@@]1(CC2)CO1
InChI	InChI=1S/C25H38O3/c1-18(2)7-6-15-25(23(26)27)21-12-10-19(3)8-5-9-20(4)11-13-22(25)24(16-14-21)17-28-24/h7,9-10,21-22H,5-6,8,11-17H2,1-4H3,(H,26,27)/b19-10+,20-9+/t21-,22-,24+,25-/m0/s1
InChIKey	OWVLOVXPEXDJOR-DFICHUKNSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Emericellene B (CHEBI:210347) 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-carboxylic acid

Manual Xrefs	Databases
78442763	ChemSpider