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CHEBI:223781 - Isoaspinonene

ChEBI IDCHEBI:223781
ChEBI NameIsoaspinonene
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESC[C@H](O)/C=C/[C@@]1(O)CO[C@H](C)[C@H]1O
InChIInChI=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
InChIKeyWVNQHQYHHHQGLQ-YKWSYBCASA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
10268513ChemSpider