CHEBI:167827 - Mearnsitrin

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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 Mearnsitrin
ChEBI ID CHEBI:167827
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O12
Net Charge 0
Average Mass 478.406
Monoisotopic Mass 478.11113
InChI InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
InChIKey NAQNISJXKDSYJD-DHWIRCOFSA-N
SMILES O=C1C(O[C@@H]2O[C@H]([C@H](O)[C@H]([C@H]2O)O)C)=C(OC3=C1C(O)=CC(=C3)O)C4=CC(O)=C(OC)C(=C4)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Mearnsitrin (CHEBI:167827) is a flavonoids (CHEBI:72544)
Mearnsitrin (CHEBI:167827) is a glycoside (CHEBI:24400)
IUPAC Name
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Manual Xref Database
5293845 ChemSpider
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