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CHEBI:210202 - 5-O-a-D-glucopyranosyl-5-hydroxymellein

ChEBI IDCHEBI:210202
ChEBI Name5-O-a-D-glucopyranosyl-5-hydroxymellein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESC[C@@H]1Cc2c(OC3OC(CO)C(O)C(O)C3O)ccc(O)c2C(=O)O1
InChIInChI=1S/C16H20O9/c1-6-4-7-9(3-2-8(18)11(7)15(22)23-6)24-16-14(21)13(20)12(19)10(5-17)25-16/h2-3,6,10,12-14,16-21H,4-5H2,1H3/t6-,10?,12?,13?,14?,16?/m1/s1
InChIKeyKJUZOFSYQLKULW-IZIZLXPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1007/s10600-008-9146-4)
ChEBI Ontology
Outgoing Relation(s)
5-O-a-D-glucopyranosyl-5-hydroxymellein (CHEBI:210202) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R)-8-hydroxy-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78445336ChemSpider