1-O-Acetylbritannilactone (CHEBI:228838)

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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	1-O-Acetylbritannilactone

ChEBI ID	CHEBI:228838

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H24O5

Net Charge

Average Mass

308.374

Monoisotopic Mass

308.16237

InChI

InChI=1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1

InChIKey

QKUFZFLZBUSEHN-CZLJMHDISA-N

SMILES

O1[C@]2([C@]([C@H](O)C(=C(C2)C)[C@H](CCCOC(=O)C)C)(C(C1=O)=C)[H])[H]

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	1-O-Acetylbritannilactone (CHEBI:228838) is a terpene lactone (CHEBI:37668)

IUPAC Name

[(4S)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzouran-5-yl]pentyl] acetate