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CHEBI:29653 - Neoabietic acid

ChEBI IDCHEBI:29653
ChEBI NameNeoabietic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CCC3=CC(=C(C)C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)O
InChIInChI=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/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
InChIKeyKGMSWPSAVZAMKR-ONCXSQPRSA-N
ChEBI Ontology
Outgoing Relation(s)
Neoabietic acid (CHEBI:29653) is a diterpenoid (CHEBI:23849)
Synonym  Source
Neoabietic acidKEGG COMPOUND
Manual XrefsDatabases
C11889KEGG COMPOUND
Registry NumbersSources
CAS:471-77-2KEGG COMPOUND