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CHEBI:226563 - Erinaceolactone C

ChEBI IDCHEBI:226563
ChEBI NameErinaceolactone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13ClO5
Net Charge0
Average Mass272.684
Monoisotopic Mass272.04515
SMILESCOc1cc([C@@H]2C[C@@H](O)C(=O)O2)cc(OC)c1Cl
InChIInChI=1S/C12H13ClO5/c1-16-9-3-6(4-10(17-2)11(9)13)8-5-7(14)12(15)18-8/h3-4,7-8,14H,5H2,1-2H3/t7-,8+/m1/s1
InChIKeyPIIDBVHDAFZNQD-SFYZADRCSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (25534373)
ChEBI Ontology
Outgoing Relation(s)
Erinaceolactone C (CHEBI:226563) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name 
(3R,5S)-5-(4-chloro-3,5-dimethoxyphenyl)-3-hydroxyoxolan-2-one
Manual XrefsDatabases
78437809ChemSpider