CHEBI:190796 - Limocitrin 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 Limocitrin 3-glucoside
ChEBI ID CHEBI:190796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O13
Net Charge 0
Average Mass 508.432
Monoisotopic Mass 508.12169
InChI InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15-,17?,18?,23+/m1/s1
InChIKey XZGXHUKLGCOGII-YXTZPTRNSA-N
SMILES O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(OC)=C(O)C=C4)CO
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Limocitrin 3-glucoside (CHEBI:190796) is a flavonoids (CHEBI:72544)
Limocitrin 3-glucoside (CHEBI:190796) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24845720 ChemSpider
LMPK12113189 LIPID MAPS
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