CHEBI:176093 - Apigenin 4'-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 Apigenin 4'-O-glucoside
ChEBI ID CHEBI:176093
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O10
Net Charge 0
Average Mass 432.381
Monoisotopic Mass 432.10565
InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey ICLVCWSZHUZEFT-QNDFHXLGSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)CO
ChEBI Ontology
Outgoing Apigenin 4'-O-glucoside (CHEBI:176093) is a flavonoids (CHEBI:72544)
Apigenin 4'-O-glucoside (CHEBI:176093) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual Xrefs Databases
4590503 ChemSpider
HMDB0041591 HMDB
View more database links
Registry Number Type Source
20486-34-4 CAS Registry Number ChemIDplus