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CHEBI:185766 - 7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside

ChEBI IDCHEBI:185766
ChEBI Name7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44O19
Net Charge0
Average Mass756.707
Monoisotopic Mass756.24768
SMILESCOc1cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)cc2c1C(=O)CC(c1ccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc1)O2
InChIInChI=1S/C34H44O19/c1-12-23(38)26(41)29(44)32(47-12)53-31-28(43)25(40)21(11-36)52-34(31)49-15-7-18(46-2)22-16(37)9-17(50-19(22)8-15)13-3-5-14(6-4-13)48-33-30(45)27(42)24(39)20(10-35)51-33/h3-8,12,17,20-21,23-36,38-45H,9-11H2,1-2H3/t12?,17?,20?,21?,23-,24+,25+,26?,27-,28-,29-,30?,31?,32-,33+,34+/m0/s1
InChIKeyCXVYODRYHCJCCK-WJOVPCSGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside (CHEBI:185766) is a flavonoids (CHEBI:72544)
7,4'-Dihydroxy-5-methoxyflavanone 7-neohesperidoside-4'-glucoside (CHEBI:185766) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-methoxy-2-[4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846547ChemSpider
LMPK12140540LIPID MAPS