CHEBI:29653 - Neoabietic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Neoabietic acid
ChEBI ID CHEBI:29653
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H30O2
Net Charge 0
Average Mass 302.452
Monoisotopic Mass 302.22458
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/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
InChIKey KGMSWPSAVZAMKR-ONCXSQPRSA-N
SMILES CC(C)=C1CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
ChEBI Ontology
Outgoing Neoabietic acid (CHEBI:29653) is a diterpenoid (CHEBI:23849)
Synonym Source
Neoabietic acid KEGG COMPOUND
Manual Xref Database
C11889 KEGG COMPOUND
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Registry Number Type Source
471-77-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014