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CHEBI:186908 - Italidipyrone

ChEBI IDCHEBI:186908
ChEBI NameItalidipyrone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O10
Net Charge0
Average Mass542.581
Monoisotopic Mass542.21520
SMILESCCc1oc(=O)c(Cc2c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c(O)c(C(=O)C(C)CC)c2O)c(O)c1C
InChIInChI=1S/C29H34O10/c1-7-12(4)22(30)21-26(34)15(10-17-23(31)13(5)19(8-2)38-28(17)36)25(33)16(27(21)35)11-18-24(32)14(6)20(9-3)39-29(18)37/h12,31-35H,7-11H2,1-6H3
InChIKeyNAKDDLYFPVLAAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Italidipyrone (CHEBI:186908) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
6-ethyl-3-[[3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-2,4,6-trihydroxy-5-(2-methylbutanoyl)phenyl]methyl]-4-hydroxy-5-methylpyran-2-one
Manual XrefsDatabases
35015150ChemSpider
HMDB0041308HMDB