Penicilleremophilane B (CHEBI:209097)

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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	Penicilleremophilane B

ChEBI ID	CHEBI:209097

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O3

Net Charge

Average Mass

248.322

Monoisotopic Mass

248.14124

InChI

InChI=1S/C15H20O3/c1-9(2)15-7-14(8-18-15)10(3)12(16)5-4-11(14)6-13(15)17/h6,10,12,16H,1,4-5,7-8H2,2-3H3/t10-,12+,14-,15+/m0/s1

InChIKey

MWUGOQTWDLZTTB-MMMKDXCPSA-N

SMILES

O=C1C=C2[C@@]3([C@H]([C@H](O)CC2)C)C[C@@]1(OC3)C(=C)C

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

ChEBI Ontology
Outgoing	Penicilleremophilane B (CHEBI:209097) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1S,2R,3R,9R)-3-hydroxy-2-methyl-9-prop-1-en-2-yl-10-oxatricyclo[7.2.1.01,6]dodec-6-en-8-one