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CHEBI:185784 - Homoesperetin 7-rutinoside

ChEBI IDCHEBI:185784
ChEBI NameHomoesperetin 7-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O15
Net Charge0
Average Mass624.592
Monoisotopic Mass624.20542
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O)cc3O2)cc1OC
InChIInChI=1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11?,17?,20?,22-,23+,24?,25-,26-,27?,28+,29+/m0/s1
InChIKeyGUMSHIGGVOJLBP-JJKAAZFGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Homoesperetin 7-rutinoside (CHEBI:185784) is a flavonoids (CHEBI:72544)
Homoesperetin 7-rutinoside (CHEBI:185784) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140387LIPID MAPS
24846458ChemSpider