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CHEBI:204954 - Calopin

ChEBI IDCHEBI:204954
ChEBI NameCalopin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCc1ccc([C@H]2[C@H](C)COC(=O)[C@H]2O)c(O)c1O
InChIInChI=1S/C13H16O5/c1-6-3-4-8(11(15)10(6)14)9-7(2)5-18-13(17)12(9)16/h3-4,7,9,12,14-16H,5H2,1-2H3/t7-,9-,12+/m1/s1
InChIKeyBUYWZUSDDLWZNM-GMEUVTARSA-N
Species of MetaboliteComponentSourceComments
Caloboletus calopus (ncbitaxon:141855) - PubMed (17091435)
ChEBI Ontology
Outgoing Relation(s)
Calopin (CHEBI:204954) is a catechols (CHEBI:33566)
IUPAC Name 
(3S,4R,5S)-4-(2,3-dihydroxy-4-methylphenyl)-3-hydroxy-5-methyloxan-2-one
Manual XrefsDatabases
9293671ChemSpider