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CHEBI:168041 - Erinapyrone C

ChEBI IDCHEBI:168041
ChEBI NameErinapyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O5
Net Charge0
Average Mass186.163
Monoisotopic Mass186.05282
SMILESCC(O)C12OC1OC(CO)=CC2=O
InChIInChI=1S/C8H10O5/c1-4(10)8-6(11)2-5(3-9)12-7(8)13-8/h2,4,7,9-10H,3H2,1H3
InChIKeyZXCJKDVKXCEBEI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Stereumspecies (ncbitaxon:1849817) - DOI (10.1021/np50107a006)
ChEBI Ontology
Outgoing Relation(s)
Erinapyrone C (CHEBI:168041) is a pyranone (CHEBI:37963)
IUPAC Names 
6-(1-hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one
(1R,6S)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one
Manual XrefsDatabases
HMDB0041026HMDB
28534154ChemSpider
8550609ChemSpider