Agrocybolactone (CHEBI:202502)

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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	Agrocybolactone

ChEBI ID	CHEBI:202502

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

Submitter	MetaboLights

Supplier Information

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Formula

C15H20O4

Net Charge

Average Mass

264.321

Monoisotopic Mass

264.13616

InChI

InChI=1S/C15H20O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,9-12,16H,4-7H2,1-2H3/t9-,10-,11+,12+,15-/m0/s1

InChIKey

FUNRAISQDFOMFQ-RSPOJEKHSA-N

SMILES

O=C1O[C@H]2OCC=3[C@H]2[C@]14[C@@H](O)CCC([C@@H]4CC3)(C)C

Metabolite of Species	Details
Agrocybe (NCBI:txid5399)	See: PubMed

ChEBI Ontology
Outgoing	Agrocybolactone (CHEBI:202502) is a furofuran (CHEBI:47790)

IUPAC Name

(1R,2S,6S,12R,15S)-2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-en-14-one