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CHEBI:185227 - Kaempferol 3-rhamnoside-7-galacturonide

ChEBI IDCHEBI:185227
ChEBI NameKaempferol 3-rhamnoside-7-galacturonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O16
Net Charge0
Average Mass608.505
Monoisotopic Mass608.13773
SMILESCC1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(C(=O)O)[C@H](O)[C@H](O)C4O)cc(O)c3c2=O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C27H28O16/c1-8-15(30)17(32)20(35)26(39-8)42-23-16(31)14-12(29)6-11(7-13(14)41-22(23)9-2-4-10(28)5-3-9)40-27-21(36)18(33)19(34)24(43-27)25(37)38/h2-8,15,17-21,24,26-30,32-36H,1H3,(H,37,38)/t8?,15-,17?,18-,19+,20-,21?,24?,26-,27+/m0/s1
InChIKeyMKGZGCPBKPSTST-NGBFLSEXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-rhamnoside-7-galacturonide (CHEBI:185227) is a flavonoids (CHEBI:72544)
Kaempferol 3-rhamnoside-7-galacturonide (CHEBI:185227) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3R,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
24844608ChemSpider
LMPK12111866LIPID MAPS