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CHEBI:204246 - Gibberellenic acid

ChEBI IDCHEBI:204246
ChEBI NameGibberellenic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILESC=C1C[C@]23C[C@@]1(O)CCC2=C1C=C[C@H](O)[C@@](C)(C(=O)O)C1[C@@H]3C(=O)O
InChIInChI=1S/C19H22O6/c1-9-7-18-8-19(9,25)6-5-11(18)10-3-4-12(20)17(2,16(23)24)13(10)14(18)15(21)22/h3-4,12-14,20,25H,1,5-8H2,2H3,(H,21,22)(H,23,24)/t12-,13?,14+,17+,18-,19-/m0/s1
InChIKeyJAHZEMKSAYRHSW-ZUVLIYFWSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - DOI (10.1007/bf02159412)
ChEBI Ontology
Outgoing Relation(s)
Gibberellenic acid (CHEBI:204246) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,4S,5S,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid
Manual XrefsDatabases
58785346ChemSpider