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CHEBI:186029 - Syringetin 3-rutinoside-7-glucoside

ChEBI IDCHEBI:186029
ChEBI NameSyringetin 3-rutinoside-7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44O22
Net Charge0
Average Mass816.715
Monoisotopic Mass816.23242
SMILESCOc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc(OC)c1O
InChIInChI=1S/C35H44O22/c1-10-20(38)25(43)28(46)33(52-10)51-9-18-23(41)27(45)30(48)35(56-18)57-32-24(42)19-13(37)6-12(53-34-29(47)26(44)22(40)17(8-36)55-34)7-14(19)54-31(32)11-4-15(49-2)21(39)16(5-11)50-3/h4-7,10,17-18,20,22-23,25-30,33-41,43-48H,8-9H2,1-3H3/t10?,17?,18?,20-,22+,23+,25-,26-,27?,28?,29?,30?,33+,34+,35-/m0/s1
InChIKeyAKOYMFNXEITYAK-ZJLINULXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Syringetin 3-rutinoside-7-glucoside (CHEBI:186029) is a flavonoids (CHEBI:72544)
Syringetin 3-rutinoside-7-glucoside (CHEBI:186029) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112490LIPID MAPS
24845177ChemSpider