CHEBI:167531 - aromadendrin 7-O-glucoside

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 aromadendrin 7-O-glucoside
ChEBI ID CHEBI:167531
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O11
Net Charge 0
Average Mass 450.396
Monoisotopic Mass 450.11621
InChI InChI=1S/C21H22O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17-25,27-29H,7H2/t13-,15-,17+,18+,19-,20-,21-/m1/s1
InChIKey UDIXYHJHYVDNOG-JUIPTLLLSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H]([C@@H](O)C(=O)C3=C(O)C2)C4=CC=C(O)C=C4)CO
Metabolite of Species Details
Gomphrena (NCBI:txid169521) Found in leaf (BTO:0000713). of strain Gomphrena agrestis Mart. See: MetaboLights Study
ChEBI Ontology
Outgoing aromadendrin 7-O-glucoside (CHEBI:167531) is a flavonoids (CHEBI:72544)
aromadendrin 7-O-glucoside (CHEBI:167531) is a glycoside (CHEBI:24400)
IUPAC Name
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual Xref Database
8631810 ChemSpider
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