CHEBI:184917 - Chrysosplenoside C

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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 Chrysosplenoside C
ChEBI ID CHEBI:184917
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H26O13
Net Charge 0
Average Mass 522.459
Monoisotopic Mass 522.13734
InChI InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14?,16-,19+,20?,24+/m1/s1
InChIKey FUCSPAVAKNCMBN-MEKVGDFYSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(=C(OC)C3=O)C4=CC(OC)=C(O)C=C4)=CC2OC)CO
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 Chrysosplenoside C (CHEBI:184917) is a flavonoids (CHEBI:72544)
Chrysosplenoside C (CHEBI:184917) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24845531 ChemSpider
LMPK12112934 LIPID MAPS
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