CHEBI:185867 - Larycitrin 3-(4''-malonylrhamnoside)

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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 Larycitrin 3-(4''-malonylrhamnoside)
ChEBI ID CHEBI:185867
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H24O15
Net Charge 0
Average Mass 564.452
Monoisotopic Mass 564.11152
InChI InChI=1S/C25H24O15/c1-8-22(39-16(31)7-15(29)30)20(34)21(35)25(37-8)40-24-19(33)17-11(27)5-10(26)6-13(17)38-23(24)9-3-12(28)18(32)14(4-9)36-2/h3-6,8,20-22,25-28,32,34-35H,7H2,1-2H3,(H,29,30)/t8?,20?,21-,22-,25-/m0/s1
InChIKey CLJHAXXQLXXEAX-ZRDPDTLNSA-N
SMILES O1C([C@H](OC(=O)CC(O)=O)C(O)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Larycitrin 3-(4''-malonylrhamnoside) (CHEBI:185867) is a flavonoids (CHEBI:72544)
Larycitrin 3-(4''-malonylrhamnoside) (CHEBI:185867) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(3R,5S,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3-oxopropanoic acid
Manual Xrefs Databases
24845169 ChemSpider
LMPK12112481 LIPID MAPS
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