CHEBI:210714 - 6-O-(4-O-methyl-beta-D-glucopyranosyl)-8-hydroxy-2,7-dimethyl-4H-benzopyran-4-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 6-O-(4-O-methyl-beta-D-glucopyranosyl)-8-hydroxy-2,7-dimethyl-4H-benzopyran-4-one
ChEBI ID CHEBI:210714
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H24O9
Net Charge 0
Average Mass 384.381
Monoisotopic Mass 384.14203
InChI InChI=1S/C18H24O9/c1-7-4-10(20)9-5-11(8(2)13(21)16(9)25-7)26-18-15(23)14(22)17(24-3)12(6-19)27-18/h4-5,9,12,14-19,21-23H,6H2,1-3H3/t9?,12-,14-,15-,16?,17-,18-/m1/s1
InChIKey DTPWOCBNTHBTSI-JUVWVNHKSA-N
SMILES O=C1C=C(OC2C1C=C(O[C@@H]3O[C@@H]([C@@H](OC)[C@@H]([C@H]3O)O)CO)C(C)=C2O)C
Metabolite of Species Details
Armillaria (NCBI:txid47424) See: PubMed
ChEBI Ontology
Outgoing 6-O-(4-O-methyl-beta-D-glucopyranosyl)-8-hydroxy-2,7-dimethyl-4H-benzopyran-4-one (CHEBI:210714) is a glycoside (CHEBI:24400)
IUPAC Name
6-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-8-hydroxy-2,7-dimethyl-4a,8a-dihydrochromen-4-one
Manual Xref Database
78442628 ChemSpider
View more database links