Xylariterpenoid E (CHEBI:211145)

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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	Xylariterpenoid E

ChEBI ID	CHEBI:211145

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O3

Net Charge

Average Mass

208.257

Monoisotopic Mass

208.10994

InChI

InChI=1S/C12H16O3/c1-7-5-10(13)9-6-8(7)12(9,2)4-3-11(14)15/h5,8-9H,3-4,6H2,1-2H3,(H,14,15)/t8-,9+,12-/m0/s1

InChIKey

ONBITTFKDNJNTM-SBMIAAHKSA-N

SMILES

O=C1C=C([C@H]2[C@@]([C@@H]1C2)(CCC(=O)O)C)C

Metabolite of Species	Details
Graphostroma (NCBI:txid190933)	See: DOI

ChEBI Ontology
Outgoing	Xylariterpenoid E (CHEBI:211145) is a monoterpenoid (CHEBI:25409)

IUPAC Name

3-[(1S,5S,6S)-2,6-dimethyl-4-oxo-6-bicyclo[3.1.1]hept-2-enyl]propanoic acid