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CHEBI:213695 - Deconin A

ChEBI IDCHEBI:213695
ChEBI NameDeconin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESCC1(C)CCC[C@]1(C)c1ccc(C(=O)OCC[C@@](C)(O)CC(=O)O)cc1
InChIInChI=1S/C21H30O5/c1-19(2)10-5-11-21(19,4)16-8-6-15(7-9-16)18(24)26-13-12-20(3,25)14-17(22)23/h6-9,25H,5,10-14H2,1-4H3,(H,22,23)/t20-,21-/m1/s1
InChIKeyPMMJBYVOCQEGKR-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Deconicaspecies 471 (ncbitaxon:1562754) - PubMed (25871540)
ChEBI Ontology
Outgoing Relation(s)
Deconin A (CHEBI:213695) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3R)-3-hydroxy-3-methyl-5-[4-[(1S)-1,2,2-trimethylcyclopentyl]benzoyl]oxypentanoic acid
Manual XrefsDatabases
59007109ChemSpider