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CHEBI:210894 - Clearanol H

ChEBI IDCHEBI:210894
ChEBI NameClearanol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESC=C1OC(=O)c2c(O)cc(OC)c(CO)c2[C@@H]1C
InChIInChI=1S/C13H14O5/c1-6-7(2)18-13(16)12-9(15)4-10(17-3)8(5-14)11(6)12/h4,6,14-15H,2,5H2,1,3H3/t6-/m1/s1
InChIKeyXADJGPTUFXXSOG-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2017.02.019)
ChEBI Ontology
Outgoing Relation(s)
Clearanol H (CHEBI:210894) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(4S)-8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4H-isochromen-1-one
Manual XrefsDatabases
78441712ChemSpider