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CHEBI:187389 - Triphyllin A

ChEBI IDCHEBI:187389
ChEBI NameTriphyllin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O16
Net Charge0
Average Mass656.634
Monoisotopic Mass656.23164
SMILESCOc1ccc([C@H]2C[C@H](O)c3c(c(C)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(CO)c3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)O2)cc1
InChIInChI=1S/C30H40O16/c1-11-26(45-29-24(39)22(37)20(35)17(9-32)43-29)14(8-31)28(46-30-25(40)23(38)21(36)18(10-33)44-30)19-15(34)7-16(42-27(11)19)12-3-5-13(41-2)6-4-12/h3-6,15-18,20-25,29-40H,7-10H2,1-2H3/t15-,16+,17?,18?,20+,21+,22-,23-,24?,25?,29-,30-/m0/s1
InChIKeyKIOGDCNEFKPDDB-OLTMIKEFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Triphyllin A (CHEBI:187389) is a flavonoids (CHEBI:72544)
Triphyllin A (CHEBI:187389) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2R,4S)-4-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenyl)-8-methyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842593ChemSpider
LMPK12020169LIPID MAPS