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CHEBI:200212 - 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosylphthalide

ChEBI IDCHEBI:200212
ChEBI Name7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosylphthalide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O9
Net Charge0
Average Mass370.354
Monoisotopic Mass370.12638
SMILESCOc1c(C)c2c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C)C(=O)OC2
InChIInChI=1S/C17H22O9/c1-6-8-5-24-16(22)10(8)15(7(2)14(6)23-3)26-17-13(21)12(20)11(19)9(4-18)25-17/h9,11-13,17-21H,4-5H2,1-3H3/t9-,11-,12+,13-,17+/m1/s1
InChIKeyAJQDABSZZKCINL-QSDFBURQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (22115029)
ChEBI Ontology
Outgoing Relation(s)
7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosylphthalide (CHEBI:200212) is a glycoside (CHEBI:24400)
IUPAC Name 
5-methoxy-4,6-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-2-benzouran-1-one
Manual XrefsDatabases
78440816ChemSpider