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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosylphthalide
ChEBI ID CHEBI:200212
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22O9
Net Charge 0
Average Mass 370.354
Monoisotopic Mass 370.12638
InChI InChI=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
InChIKey AJQDABSZZKCINL-QSDFBURQSA-N
SMILES O=C1OCC=2C1=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C(=C(OC)C2C)C
Metabolite of Species Details
Pestalotiopsis heterocornis (NCBI:txid285113) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78440816 ChemSpider
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