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CHEBI:186433 - 3'-O-Methylmaysin

ChEBI IDCHEBI:186433
ChEBI Name3'-O-Methylmaysin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O14
Net Charge0
Average Mass590.534
Monoisotopic Mass590.16356
SMILES[H][C@]1(c2c(O)cc3oc(-c4ccc(O)c(OC)c4)cc(=O)c3c2O)OC(C)C(=O)[C@H](O)C1O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20,23-29,31-32,34-37H,1-3H3/t9?,10?,20-,23-,24-,25?,26+,27?,28-/m0/s1
InChIKeyOKTXLUXOQRQVRH-ZXDLGETLSA-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'-O-Methylmaysin (CHEBI:186433) is a C-glycosyl compound (CHEBI:20857)
3'-O-Methylmaysin (CHEBI:186433) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,4R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one
Manual XrefsDatabases
LMPK12110757LIPID MAPS
24843780ChemSpider