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CHEBI:58621 - dehydroabietate

ChEBI IDCHEBI:58621
ChEBI Namedehydroabietate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H27O2
Net Charge-1
Average Mass299.434
Monoisotopic Mass299.20165
SMILES[H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCC[C@@]2(C)C(=O)[O-]
InChIInChI=1S/C20H28O2/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/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/p-1/t17-,19-,20-/m1/s1
InChIKeyNFWKVWVWBFBAOV-MISYRCLQSA-M
ChEBI Ontology
Outgoing Relation(s)
dehydroabietate (CHEBI:58621) is a monocarboxylic acid anion (CHEBI:35757)
dehydroabietate (CHEBI:58621) is conjugate base of dehydroabietic acid (CHEBI:29571)
Incoming Relation(s)
dehydroabietic acid (CHEBI:29571) is conjugate acid of dehydroabietate (CHEBI:58621)
IUPAC Name 
abieta-8,11,13-trien-18-oate
UniProt Name  Source
dehydroabietateUniProt
Manual XrefsDatabases
C12078KEGG COMPOUND
CPD-8725MetaCyc
Registry NumbersSources
Reaxys:8351200Reaxys