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CHEBI:185142 - 3'-Deoxymaysin

ChEBI IDCHEBI:185142
ChEBI Name3'-Deoxymaysin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O13
Net Charge0
Average Mass560.508
Monoisotopic Mass560.15299
SMILES[H][C@]1(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)OC(C)C(=O)[C@H](O)C1O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19,22-28,30-31,33-36H,1-2H3/t9?,10?,19-,22-,23-,24?,25+,26?,27-/m0/s1
InChIKeyLCQVQAZLYBJMGJ-XDCXFRLHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3'-Deoxymaysin (CHEBI:185142) is a C-glycosyl compound (CHEBI:20857)
3'-Deoxymaysin (CHEBI:185142) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dihydroxy-6-[(2R,4R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
24843303ChemSpider
LMPK12110249LIPID MAPS