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CHEBI:213362 - 3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-O-beta-D-glucopyranosyl-1H-isochromen-1-one

ChEBI IDCHEBI:213362
ChEBI Name3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-O-beta-D-glucopyranosyl-1H-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22Cl2O10
Net Charge0
Average Mass481.281
Monoisotopic Mass480.05900
SMILESCOc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)oc(CC(O)C(Cl)Cl)cc2c1
InChIInChI=1S/C19H22Cl2O10/c1-28-8-2-7-3-9(4-10(23)17(20)21)29-18(27)13(7)11(5-8)30-19-16(26)15(25)14(24)12(6-22)31-19/h2-3,5,10,12,14-17,19,22-26H,4,6H2,1H3/t10?,12-,14-,15+,16-,19-/m1/s1
InChIKeyGFTMSHUDVLWCNA-PDNFJLETSA-N
Species of MetaboliteComponentSourceComments
Mucor (ncbitaxon:4830) - PubMed (23822523)
ChEBI Ontology
Outgoing Relation(s)
3-(3,3-dichloro-2-hydroxylpropyl)-6-methoxy-8-O-beta-D-glucopyranosyl-1H-isochromen-1-one (CHEBI:213362) is a glycoside (CHEBI:24400)
IUPAC Name 
3-(3,3-dichloro-2-hydroxypropyl)-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyisochromen-1-one
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78438035ChemSpider