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CHEBI:212729 - Clearanol I

Default Structure
ChEBI IDCHEBI:212729
ChEBI NameClearanol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1cc(O)c2c(c1C)[C@H](C)[C@H](CO)OC2=O
InChIInChI=1S/C13H16O5/c1-6-9(17-3)4-8(15)12-11(6)7(2)10(5-14)18-13(12)16/h4,7,10,14-15H,5H2,1-3H3/t7-,10+/m1/s1
InChIKeyVUCFYJGVEJZFMU-XCBNKYQSSA-N
Species of MetaboliteComponentSourceComments
Leptosphaeria (ncbitaxon:5021) - PubMed (28661451)
ChEBI Ontology
Outgoing Relation(s)
Clearanol I (CHEBI:212729) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-8-hydroxy-3-(hydroxymethyl)-6-methoxy-4,5-dimethyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
62233315ChemSpider