CHEBI:29651 - neoabietadiene

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ChEBI Name neoabietadiene
ChEBI ID CHEBI:29651
Definition An abietadiene in which the two double bonds are located at the 8(14)- and 13(15)-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H32
Net Charge 0
Average Mass 272.46810
Monoisotopic Mass 272.25040
InChI InChI=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
InChIKey MRRHSEMHYVQUFK-CMKODMSKSA-N
SMILES [H][C@]12CCC(C=C1CC[C@@]1([H])C(C)(C)CCC[C@]21C)=C(C)C
ChEBI Ontology
Outgoing neoabietadiene (CHEBI:29651) is a abietadiene (CHEBI:50072)
IUPAC Name
abieta-8(14),13(15)-diene
Synonyms Sources
Neoabietadiene KEGG COMPOUND
neoabietadiene UniProt
Manual Xrefs Databases
C11880 KEGG COMPOUND
CPD-8696 MetaCyc
LMPR0104050003 LIPID MAPS
View more database links
Registry Numbers Types Sources
57119-12-7 CAS Registry Number KEGG COMPOUND
8856681 Reaxys Registry Number Reaxys
Last Modified
23 October 2012