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CHEBI:30232 - abieta-7,13-diene

ChEBI IDCHEBI:30232
ChEBI Nameabieta-7,13-diene
Stars
Secondary ChEBI IDsCHEBI:10771, CHEBI:29508
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12CCC(C(C)C)=CC1=CC[C@@]1([H])C(C)(C)CCC[C@]21C
InChIInChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1
InChIKeyBBPXZLJCPUPNGH-CMKODMSKSA-N
ChEBI Ontology
Outgoing Relation(s)
abieta-7,13-diene (CHEBI:30232) is a abietadiene (CHEBI:50072)
Incoming Relation(s)
abieta-7,13-dien-18,18-diol (CHEBI:63668) has parent hydride abieta-7,13-diene (CHEBI:30232)
abietal (CHEBI:29509) has parent hydride abieta-7,13-diene (CHEBI:30232)
abietol (CHEBI:29510) has parent hydride abieta-7,13-diene (CHEBI:30232)
IUPAC Name 
abieta-7,13-diene
Synonyms  Source
(4aS,4bR,10aS)-7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthreneChEBI
(-)-AbietadieneKEGG COMPOUND
AbietadieneKEGG COMPOUND
AbietadieneKEGG COMPOUND
UniProt Name  Source
abieta-7,13-dieneUniProt
Manual XrefsDatabases
C00000868KNApSAcK
C11878KEGG COMPOUND
LMPR0104050002LIPID MAPS
Registry NumbersSources
Beilstein:2504776Beilstein
CAS:35241-40-8KEGG COMPOUND