BCA 10 (CHEBI:198842)

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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	BCA 10

ChEBI ID	CHEBI:198842

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H34O5

Net Charge

Average Mass

378.509

Monoisotopic Mass

378.24062

InChI

InChI=1S/C22H34O5/c1-14(13-23)6-5-7-15(2)16-10-11-22(3,26)18(16)12-17-19(24)8-9-20(27-4)21(17)25/h6,10,15,18,20,23,25-26H,5,7-9,11-13H2,1-4H3/b14-6+

InChIKey

LXUOZANJRFPUKV-MKMNVTDBSA-N

SMILES

O=C1C(=C(O)C(OC)CC1)CC2C(=CCC2(O)C)C(CC/C=C(/CO)\C)C

Metabolite of Species	Details
Alternaria alternata (NCBI:txid5599)	See: DOI

ChEBI Ontology
Outgoing	BCA 10 (CHEBI:198842) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name

3-hydroxy-2-[[5-hydroxy-2-[(E)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methylcyclopent-2-en-1-yl]methyl]-4-methoxycyclohex-2-en-1-one