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CHEBI:185084 - Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside)

ChEBI IDCHEBI:185084
ChEBI NameApigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O16
Net Charge0
Average Mass738.695
Monoisotopic Mass738.21599
SMILESCOc1ccc(/C=C/C(=O)O[C@@H]2C(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)[C@H]2O)cc1
InChIInChI=1S/C37H38O16/c1-17-30(42)31(43)33(45)36(49-17)48-16-27-35(53-28(41)12-5-18-3-10-21(47-2)11-4-18)32(44)34(46)37(52-27)50-22-13-23(39)29-24(40)15-25(51-26(29)14-22)19-6-8-20(38)9-7-19/h3-15,17,27,30-39,42-46H,16H2,1-2H3/b12-5+/t17?,27?,30-,31?,32+,33-,34?,35+,36+,37+/m0/s1
InChIKeyJOQVXRRIIZHPMR-FIHJNWJESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside) (CHEBI:185084) is a flavonoids (CHEBI:72544)
Apigenin 7-rhamnosyl-(1->6)-(4''-E-p-methoxycinnamoylglucoside) (CHEBI:185084) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-2-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12110404LIPID MAPS
24843458ChemSpider