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CHEBI:187649 - Phellodensin F

ChEBI IDCHEBI:187649
ChEBI NamePhellodensin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O10
Net Charge0
Average Mass502.516
Monoisotopic Mass502.18390
SMILESCC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O
InChIInChI=1S/C26H30O10/c1-12(2)3-8-15-19(35-26-24(33)23(32)22(31)20(11-27)36-26)10-17(30)21-16(29)9-18(34-25(15)21)13-4-6-14(28)7-5-13/h3-7,10,18,20,22-24,26-28,30-33H,8-9,11H2,1-2H3/t18-,20?,22+,23-,24?,26+/m0/s1
InChIKeyBMYUIXRQCPBGKG-SKSDNVLZSA-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 F (CHEBI:187649) is a flavonoids (CHEBI:72544)
Phellodensin F (CHEBI:187649) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846348ChemSpider
LMPK12140229LIPID MAPS