Malfilanol B (CHEBI:224993)

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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	Malfilanol B

ChEBI ID	CHEBI:224993

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H26O3

Net Charge

Average Mass

266.381

Monoisotopic Mass

266.18819

InChI

InChI=1S/C16H26O3/c1-15(2)7-8-16(3,18)13-6-5-11(14(17)19-4)9-12(13)10-15/h9,12-13,18H,5-8,10H2,1-4H3/t12-,13-,16-/m1/s1

InChIKey

PQJPOHPJWNDSNK-XJKCOSOUSA-N

SMILES

O=C(OC)C1=C[C@H]2[C@H]([C@](O)(CCC(C2)(C)C)C)CC1

Metabolite of Species	Details
Malbranchea filamentosa (NCBI:txid33181)	See: PubMed

ChEBI Ontology
Outgoing	Malfilanol B (CHEBI:224993) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

methyl (4aS,9R,9aR)-9-hydroxy-6,6,9-trimethyl-2,4a,5,7,8,9a-hexahydro-1H-benzo[7]annulene-3-carboxylate