CHEBI:176409 - 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-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 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside
ChEBI ID CHEBI:176409
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O11
Net Charge 0
Average Mass 448.380
Monoisotopic Mass 448.10056
InChI InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-14-5-9(23)4-13-17(14)10(6-16(26)30-13)8-1-2-11(24)12(25)3-8/h1-6,15,18-25,27-29H,7H2/t15?,18-,19+,20?,21-/m1/s1
InChIKey VAPVFWUBNBLVMB-VVWFOWEGSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(C4=CC(O)=C(O)C=C4)=CC(OC3C=C(O)C2)=O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain ICR Mouse [NCIT:C37408] See: MetaboLights Study
ChEBI Ontology
Outgoing 5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside (CHEBI:176409) is a coumarins (CHEBI:23403)
5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside (CHEBI:176409) is a glycoside (CHEBI:24400)
IUPAC Name
4-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Manual Xrefs Databases
24843128 ChemSpider
LMPK12100033 LIPID MAPS
View more database links