Isoaspinonene (CHEBI:223781)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Isoaspinonene

ChEBI ID	CHEBI:223781

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16O4

Net Charge

Average Mass

188.223

Monoisotopic Mass

188.10486

InChI

InChI=1S/C9H16O4/c1-6(10)3-4-9(12)5-13-7(2)8(9)11/h3-4,6-8,10-12H,5H2,1-2H3/b4-3+/t6-,7+,8+,9+/m0/s1

InChIKey

WVNQHQYHHHQGLQ-YKWSYBCASA-N

SMILES

O1[C@@H]([C@@H](O)[C@@](C1)(O)/C=C/[C@@H](O)C)C

ChEBI Ontology
Outgoing	Isoaspinonene (CHEBI:223781) is a oxolanes (CHEBI:26912)

IUPAC Name

(2R,3R,4R)-4-[(E,3S)-3-hydroxybut-1-enyl]-2-methyloxolane-3,4-diol