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CHEBI:226001 - Deconin E

ChEBI IDCHEBI:226001
ChEBI NameDeconin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O6
Net Charge0
Average Mass350.411
Monoisotopic Mass350.17294
SMILESCC(O)(COC(=O)c1ccc([C@@]2(C)C[C@H](O)CC2(C)C)cc1)C(=O)O
InChIInChI=1S/C19H26O6/c1-17(2)9-14(20)10-18(17,3)13-7-5-12(6-8-13)15(21)25-11-19(4,24)16(22)23/h5-8,14,20,24H,9-11H2,1-4H3,(H,22,23)/t14-,18-,19?/m1/s1
InChIKeyOEMQRFWSQMZDOR-QSFPRURJSA-N
Species of MetaboliteComponentSourceComments
Deconicaspecies 471 (ncbitaxon:1562754) - PubMed (25871540)
ChEBI Ontology
Outgoing Relation(s)
Deconin E (CHEBI:226001) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-hydroxy-3-[4-[(1S,4R)-4-hydroxy-1,2,2-trimethylcyclopentyl]benzoyl]oxy-2-methylpropanoic acid
Manual XrefsDatabases
59006805ChemSpider