tetraneurin E (CHEBI:9499)

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ChEBI Name	tetraneurin E

ChEBI ID	CHEBI:9499

Definition	A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H24O6

Net Charge

Average Mass

324.36890

Monoisotopic Mass

324.15729

InChI

InChI=1S/C17H24O6/c1-9-12-5-4-11(8-18)17(21)7-6-13(22-10(2)19)16(17,3)14(12)23-15(9)20/h11-14,18,21H,1,4-8H2,2-3H3/t11-,12+,13+,14-,16+,17-/m1/s1

InChIKey

CLPRBVIHHFLWQY-SGXNCSQFSA-N

SMILES

[H][C@@]12CC[C@H](CO)[C@]3(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@]1([H])OC(=O)C2=C

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	tetraneurin E (CHEBI:9499) has role metabolite (CHEBI:25212) tetraneurin E (CHEBI:9499) is a γ-lactone (CHEBI:37581) tetraneurin E (CHEBI:9499) is a acetate ester (CHEBI:47622) tetraneurin E (CHEBI:9499) is a organic heterotricyclic compound (CHEBI:26979) tetraneurin E (CHEBI:9499) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

(3aS,6R,6aR,9S,9aS,9bR)-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxododecahydroazuleno[4,5-b]furan-9-yl acetate

Synonym	Source
Ambrosanolide	KEGG COMPOUND

Citation	Type	Source
10883729	PubMed citation	Europe PMC

Last Modified

28 July 2014