CHEBI:188114 - Luteolin 7-sulfate-3'-glucoside

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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 Luteolin 7-sulfate-3'-glucoside
ChEBI ID CHEBI:188114
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O14S
Net Charge 0
Average Mass 528.440
Monoisotopic Mass 528.05738
InChI InChI=1S/C21H20O14S/c22-7-16-18(26)19(27)20(28)21(34-16)33-14-3-8(1-2-10(14)23)13-6-12(25)17-11(24)4-9(5-15(17)32-13)35-36(29,30)31/h1-6,16,18-24,26-28H,7H2,(H,29,30,31)/t16?,18-,19?,20?,21-/m1/s1
InChIKey OTZOUMPODICORE-IZUIXIRESA-N
SMILES S(OC=1C=C2OC(C3=CC(O[C@@H]4OC([C@@H](O)C(O)C4O)CO)=C(O)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Luteolin 7-sulfate-3'-glucoside (CHEBI:188114) is a flavonoids (CHEBI:72544)
Luteolin 7-sulfate-3'-glucoside (CHEBI:188114) is a glycoside (CHEBI:24400)
IUPAC Name
[5-hydroxy-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl] hydrogen sulate
Manual Xrefs Databases
24843751 ChemSpider
LMPK12110721 LIPID MAPS
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