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CHEBI:29651 - neoabietadiene

ChEBI IDCHEBI:29651
ChEBI Nameneoabietadiene
Stars
DefinitionAn abietadiene in which the two double bonds are located at the 8(14)- and 13(15)-positions.
Last Modified23 October 2012
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILES[H][C@]12CCC(=C(C)C)C=C1CC[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/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1
InChIKeyMRRHSEMHYVQUFK-CMKODMSKSA-N
ChEBI Ontology
Outgoing Relation(s)
neoabietadiene (CHEBI:29651) is a abietadiene (CHEBI:50072)
IUPAC Name 
abieta-8(14),13(15)-diene
Synonym  Source
NeoabietadieneKEGG COMPOUND
UniProt Name  Source
neoabietadieneUniProt
Manual XrefsDatabases
C11880KEGG COMPOUND
LMPR0104050003LIPID MAPS
CPD-8696MetaCyc
Registry NumbersSources
Reaxys:8856681Reaxys
CAS:57119-12-7KEGG COMPOUND