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CHEBI:206827 - Agathic acid

ChEBI IDCHEBI:206827
ChEBI NameAgathic acid
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SubmitterMetaboLights
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FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CC/C(C)=C/C(=O)O
InChIInChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m1/s1
InChIKeyQYCOHMYDSOZCQD-PMTPZQICSA-N
ChEBI Ontology
Outgoing Relation(s)
Agathic acid (CHEBI:206827) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4aS,5R,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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