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CHEBI:187783 - Dalmaisione D

ChEBI IDCHEBI:187783
ChEBI NameDalmaisione D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O13
Net Charge0
Average Mass562.524
Monoisotopic Mass562.16864
SMILESO=C1/C(=C/c2ccccc2O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)[C@H](O)C2O)Oc2ccccc21
InChIInChI=1S/C27H30O13/c28-10-17-20(30)22(32)24(34)26(39-17)36-11-18-21(31)23(33)25(35)27(40-18)38-14-7-3-1-5-12(14)9-16-19(29)13-6-2-4-8-15(13)37-16/h1-9,17-18,20-28,30-35H,10-11H2/b16-9-/t17?,18?,20-,21-,22+,23+,24?,25?,26-,27-/m1/s1
InChIKeyQKEXFCYHIQKPSV-TXXDBYDDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dalmaisione D (CHEBI:187783) is a aurones (CHEBI:72576)
IUPAC Name 
(2Z)-2-[[2-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methylidene]-1-benzouran-3-one
Manual XrefsDatabases
LMPK12130022LIPID MAPS
24846166ChemSpider