CHEBI:190973 - 2''-galloylhyperin

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 2''-galloylhyperin
ChEBI ID CHEBI:190973
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O16
Net Charge 0
Average Mass 616.484
Monoisotopic Mass 616.10643
InChI InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1
InChIKey PXGWEUQZDRUMRE-UNZYZCBSSA-N
SMILES O1[C@@H]([C@H](O)[C@H](O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)CO
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in INS-1 cell (BTO:0002135). See: MetaboLights Study
ChEBI Ontology
Outgoing 2''-galloylhyperin (CHEBI:190973) is a flavonoids (CHEBI:72544)
2''-galloylhyperin (CHEBI:190973) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual Xref Database
4955742 ChemSpider
View more database links
Registry Number Type Source
53209-27-1 CAS Registry Number ChemIDplus