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CHEBI:184717 - Phellodensin E

ChEBI IDCHEBI:184717
ChEBI NamePhellodensin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O11
Net Charge0
Average Mass518.515
Monoisotopic Mass518.17881
SMILESC/C(=C\Cc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O)CO
InChIInChI=1S/C26H30O11/c1-12(10-27)2-7-15-19(36-26-24(34)23(33)22(32)20(11-28)37-26)9-17(31)21-16(30)8-18(35-25(15)21)13-3-5-14(29)6-4-13/h2-6,9,18,20,22-24,26-29,31-34H,7-8,10-11H2,1H3/b12-2+/t18-,20?,22+,23-,24?,26+/m0/s1
InChIKeyWGRQQDUXRSBBSB-YQHQFIAYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Phellodensin E (CHEBI:184717) is a flavonoids (CHEBI:72544)
Phellodensin E (CHEBI:184717) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-5-hydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140230LIPID MAPS
24846349ChemSpider