CHEBI:184695 - Rhamnazin 3-(6''-acetylglucoside)

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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 Rhamnazin 3-(6''-acetylglucoside)
ChEBI ID CHEBI:184695
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O13
Net Charge 0
Average Mass 534.470
Monoisotopic Mass 534.13734
InChI InChI=1S/C25H26O13/c1-10(26)35-9-17-19(29)21(31)22(32)25(37-17)38-24-20(30)18-14(28)7-12(33-2)8-16(18)36-23(24)11-4-5-13(27)15(6-11)34-3/h4-8,17,19,21-22,25,27-29,31-32H,9H2,1-3H3/t17-,19-,21?,22?,25+/m1/s1
InChIKey WKUPABLMUDSFFT-VLYGSFHYSA-N
SMILES O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(OC)=C(O)C=C4)COC(=O)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 Rhamnazin 3-(6''-acetylglucoside) (CHEBI:184695) is a flavonoids (CHEBI:72544)
Rhamnazin 3-(6''-acetylglucoside) (CHEBI:184695) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
24845304 ChemSpider
LMPK12112635 LIPID MAPS
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