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CHEBI:29509 - abietal

Default Structure
ChEBI IDCHEBI:29509
ChEBI Nameabietal
Stars
DefinitionA derivative of abieta-7,13-diene having an oxo group on one of the gem-dimethyl groups.
Secondary ChEBI IDCHEBI:656032
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H]C(=O)[C@]1(C)CCC[C@@]2(C)[C@@]1([H])CC=C1C=C(C(C)C)CC[C@@]12[H]
InChIInChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKeyHOFSYSONRIGEAC-LWYYNNOASA-N
ChEBI Ontology
Outgoing Relation(s)
abietal (CHEBI:29509) has parent hydride abieta-7,13-diene (CHEBI:30232)
abietal (CHEBI:29509) is a abietane diterpenoid (CHEBI:36762)
IUPAC Name 
abieta-7,13-dien-18-al
Synonyms  Source
abietadienalChEBI
AbietalKEGG COMPOUND
AbietaldehydeKEGG COMPOUND
AbietinalKEGG COMPOUND
UniProt Name  Source
abieta-7,13-dien-18-alUniProt
Manual XrefsDatabases
C00000869KNApSAcK
C11887KEGG COMPOUND
Registry NumbersSources
Beilstein:2218592Beilstein
CAS:6704-50-3KEGG COMPOUND