Chermesiterpenoid B (CHEBI:209994)

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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	Chermesiterpenoid B

ChEBI ID	CHEBI:209994

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O3

Net Charge

Average Mass

254.370

Monoisotopic Mass

254.18819

InChI

InChI=1S/C15H26O3/c1-10(13(4)16)6-5-7-11(2)14-9-8-12(3)15(17)18-14/h10-12,14H,5-9H2,1-4H3/t10-,11+,12-,14+/m1/s1

InChIKey

RSGFRHWBQXHHQQ-CZXHOFHRSA-N

SMILES

O=C1O[C@H]([C@H](CCC[C@H](C(=O)C)C)C)CC[C@H]1C

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: PubMed

ChEBI Ontology
Outgoing	Chermesiterpenoid B (CHEBI:209994) is a δ-lactone (CHEBI:18946)

IUPAC Name

(3R,6S)-3-methyl-6-[(2S,6R)-6-methyl-7-oxooctan-2-yl]oxan-2-one