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CHEBI:167536 - luteolin rhamnoside glucuronide

ChEBI IDCHEBI:167536
ChEBI Nameluteolin rhamnoside glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O16
Net Charge0
Average Mass608.505
Monoisotopic Mass608.13773
SMILESCC1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5OC(C(=O)O)[C@@H](O)[C@H](O)C5O)cc4o3)cc2O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C27H28O16/c1-8-18(31)19(32)22(35)26(39-8)42-14-3-2-9(4-11(14)28)15-7-13(30)17-12(29)5-10(6-16(17)41-15)40-27-23(36)20(33)21(34)24(43-27)25(37)38/h2-8,18-24,26-29,31-36H,1H3,(H,37,38)/t8?,18-,19?,20-,21-,22-,23?,24?,26-,27+/m0/s1
InChIKeyPYKXXYKNFWZUIX-FVEIQTJESA-N
Species of MetaboliteComponentSourceComments
Gomphrena (ncbitaxon:169521) leaf (BTO:0000713) MetaboLights (MTBLS613) Strain: Gomphrena agrestis Mart.
ChEBI Ontology
Outgoing Relation(s)
luteolin rhamnoside glucuronide (CHEBI:167536) is a flavonoids (CHEBI:72544)
luteolin rhamnoside glucuronide (CHEBI:167536) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12110671LIPID MAPS
24843701ChemSpider