3-Epiarmefolin (CHEBI:172036)

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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	3-Epiarmefolin

ChEBI ID	CHEBI:172036

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20O4

Net Charge

Average Mass

264.321

Monoisotopic Mass

264.13616

InChI

InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-11,13,16-17H,1,4-6H2,2-3H3

InChIKey

VRHFGDDYTIJYIX-UHFFFAOYSA-N

SMILES

O1C2C=3C(CCC2C(C1=O)=C)(C(O)CC(O)C3C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	3-Epiarmefolin (CHEBI:172036) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

6,8-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzouran-2-one