Diemenensin B (CHEBI:204034)

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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	Diemenensin B

ChEBI ID	CHEBI:204034

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H32O3

Net Charge

Average Mass

332.484

Monoisotopic Mass

332.23514

InChI

InChI=1S/C21H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12-/t13-,14-/m0/s1

InChIKey

SAHYKMIMGJKBCR-YGFWDGJMSA-N

SMILES

O=C1OC(=C(C)C(=C1C)O)/C(=C\C(=C\[C@H](C[C@H](CCC)C)C)\C)/C

Metabolite of Species	Details
Siphonaria diemenensis (NCBI:txid264288)	See: DOI

ChEBI Ontology
Outgoing	Diemenensin B (CHEBI:204034) is a terpene lactone (CHEBI:37668)

IUPAC Name

4-hydroxy-3,5-dimethyl-6-[(2Z,4E,6S,8S)-4,6,8-trimethylundeca-2,4-dien-2-yl]pyran-2-one