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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.
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This entity has been manually annotated by the ChEBI Team.
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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