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CHEBI:211751 - 5-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one

ChEBI IDCHEBI:211751
ChEBI Name5-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O10
Net Charge0
Average Mass398.364
Monoisotopic Mass398.12130
SMILESCOc1cc(O)c2c(=O)oc(C)cc2c1O[C@H]1O[C@@H](CO)[C@H](OC)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H22O10/c1-7-4-8-12(17(23)26-7)9(20)5-10(24-2)15(8)28-18-14(22)13(21)16(25-3)11(6-19)27-18/h4-5,11,13-14,16,18-22H,6H2,1-3H3/t11-,13+,14-,16-,18+/m0/s1
InChIKeyBYAMZRXKQNNLSE-FVPJMTCRSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2018.01.004)
ChEBI Ontology
Outgoing Relation(s)
5-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one (CHEBI:211751) is a glycoside (CHEBI:24400)
IUPAC Name 
5-[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-6-methoxy-3-methylisochromen-1-one
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78442419ChemSpider