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CHEBI:185958 - Matteuorienate C

ChEBI IDCHEBI:185958
ChEBI NameMatteuorienate C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O13
Net Charge0
Average Mass588.562
Monoisotopic Mass588.18429
SMILESCc1c(O[C@@H]2OC(COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)C2O)c(C)c2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C29H32O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-9,18,23-25,28,34-38H,10-12H2,1-3H3,(H,31,32)/t18?,23-,24+,25?,28+,29?/m1/s1
InChIKeyKMYUBNLNPRIIHP-HDWZAORYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Matteuorienate C (CHEBI:185958) is a flavonoids (CHEBI:72544)
Matteuorienate C (CHEBI:185958) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-3-methyl-5-oxo-5-[[(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6,8-dimethyl-4-oxo-2-phenylchromen-7-yl)oxyoxan-2-yl]methoxy]pentanoic acid
Manual XrefsDatabases
24843220ChemSpider
LMPK12110145LIPID MAPS