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> Main
CHEBI:29509 - abietal
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ChEBI Ontology
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ChEBI Name
abietal
ChEBI ID
CHEBI:29509
Definition
A derivative of abieta-7,13-diene having an oxo group on one of the gem-dimethyl groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:656032
Supplier Information
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Molfile
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Molfile
Formula
C20H30O
Net Charge
0
Average Mass
286.45160
Monoisotopic Mass
286.22967
InChI
InChI=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
InChIKey
HOFSYSONRIGEAC-LWYYNNOASA-N
SMILES
[H]C(=O)[C@]1(C)CCC[C@]2(C)[C@@]3([H])CCC(=CC3=CC[C@@]12[H])C(C)C
ChEBI Ontology
Outgoing
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
Sources
abieta-7,13-dien-18-al
UniProt
abietadienal
ChEBI
Abietal
KEGG COMPOUND
Abietaldehyde
KEGG COMPOUND
Abietinal
KEGG COMPOUND
Manual Xrefs
Databases
C00000869
KNApSAcK
C11887
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2218592
Beilstein Registry Number
Beilstein
6704-50-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014