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> Main
CHEBI:35680 - abietate
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ChEBI Ontology
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ChEBI Name
abietate
ChEBI ID
CHEBI:35680
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H29O2
Net Charge
-1
Average Mass
301.44306
Monoisotopic Mass
301.21730
InChI
InChI=1S/C20H30O2/c1-
13(2)
14-
6-
8-
16-
15(12-
14)
7-
9-
17-
19(16,3)
10-
5-
11-
20(17,4)
18(21)
22/h7,12-
13,16-
17H,5-
6,8-
11H2,1-
4H3,(H,21,22)
/p-
1/t16-
,17+,19+,20+/m0/s1
InChIKey
RSWGJHLUYNHPMX-ONCXSQPRSA-M
SMILES
[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C([O-])=O)C(C)C
ChEBI Ontology
Outgoing
abietate (
CHEBI:35680
)
is a
abietane diterpenoid (
CHEBI:36762
)
abietate (
CHEBI:35680
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
abietate (
CHEBI:35680
)
is conjugate base of
abietic acid (
CHEBI:28987
)
Incoming
abietic acid (
CHEBI:28987
)
is conjugate acid of
abietate (
CHEBI:35680
)
IUPAC Name
abieta-7,13-dien-18-oate
Synonym
Source
abieta-7,13-dien-18-oate
UniProt
Registry Number
Type
Source
385720
Gmelin Registry Number
Gmelin
Last Modified
14 February 2012