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CHEBI:222363 - 9-epi-solanioic acid

ChEBI IDCHEBI:222363
ChEBI Name9-epi-solanioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESCC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC=C([C@H]2C(C=O)=C3C[C@@H](O)CC[C@]3(C)[C@H]2C=O)[C@]1(C)C(=O)O
InChIInChI=1S/C28H40O5/c1-16(2)17(3)7-8-18(4)21-9-10-22(28(21,6)26(32)33)25-20(14-29)23-13-19(31)11-12-27(23,5)24(25)15-30/h7-8,10,14-19,21,24-25,31H,9,11-13H2,1-6H3,(H,32,33)/t17-,18+,19-,21+,24-,25+,27-,28+/m0/s1
InChIKeyJOTHWTICYBJQAR-GCUQPPGISA-N
Species of MetaboliteComponentSourceComments
Rhizoctonia solani (ncbitaxon:456999) - PubMed (30635614)
ChEBI Ontology
Outgoing Relation(s)
9-epi-solanioic acid (CHEBI:222363) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,5R)-2-[(1S,2S,5S,7aR)-1,3-diormyl-5-hydroxy-7a-methyl-1,2,4,5,6,7-hexahydroinden-2-yl]-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-1-methylcyclopent-2-ene-1-carboxylic acid