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CHEBI:172828 - 6'''-O-Sinapoylsaponarin

ChEBI IDCHEBI:172828
ChEBI Name6'''-O-Sinapoylsaponarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H40O19
Net Charge0
Average Mass800.719
Monoisotopic Mass800.21638
SMILESCOc1cc(/C=C/C(=O)OCC2OC(Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3C3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O
InChIInChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+
InChIKeyAGLOWEFNIHNCIZ-FPYGCLRLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
6'''-O-Sinapoylsaponarin (CHEBI:172828) is a flavonoids (CHEBI:72544)
6'''-O-Sinapoylsaponarin (CHEBI:172828) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0035005HMDB