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CHEBI:185719 - 6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin

ChEBI IDCHEBI:185719
ChEBI Name6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H38O18
Net Charge0
Average Mass722.649
Monoisotopic Mass722.20581
SMILES[H][C@@]1(c2c(O)c([C@]3([H])OC(C)[C@H](O)[C@H](O)C3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O[C@@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)C(O)C1O
InChIInChI=1S/C33H38O18/c1-11-22(39)26(43)28(45)31(49-11)20-24(41)19-14(35)7-15(12-3-5-13(34)6-4-12)50-30(19)21(25(20)42)32-29(46)27(44)23(40)16(51-32)10-48-18(38)9-33(2,47)8-17(36)37/h3-7,11,16,22-23,26-29,31-32,34,39-47H,8-10H2,1-2H3,(H,36,37)/t11?,16-,22-,23+,26-,27?,28?,29?,31-,32-,33?/m0/s1
InChIKeyHJERPRJJPPOOLZ-UKRWHDPRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin (CHEBI:185719) is a C-glycosyl compound (CHEBI:20857)
6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin (CHEBI:185719) is a flavonoids (CHEBI:72544)
IUPAC Name 
5-[[(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual XrefsDatabases
LMPK12110232LIPID MAPS
24843286ChemSpider