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CHEBI:6077 - Ivalin

ChEBI IDCHEBI:6077
ChEBI NameIvalin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12C[C@@]3(C)C[C@@H](O)CC(=C)[C@]3([H])C[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13+,15+/m0/s1
InChIKeyOVIILQQKQPCQTF-GGAZOKNXSA-N
ChEBI Ontology
Outgoing Relation(s)
Ivalin (CHEBI:6077) is a eudesmane sesquiterpenoid (CHEBI:62508)
Synonym  Source
IvalinKEGG COMPOUND
Manual XrefsDatabases
C09488KEGG COMPOUND
C00003310KNApSAcK
Registry NumbersSources
CAS:5938-03-4KEGG COMPOUND