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CHEBI:166619 - Triphyllin B

ChEBI IDCHEBI:166619
ChEBI NameTriphyllin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O16
Net Charge0
Average Mass642.607
Monoisotopic Mass642.21599
SMILESCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(CO)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c1O[C@@H](c1ccc(O)cc1)C[C@@H]2O
InChIInChI=1S/C29H38O16/c1-10-25(44-28-23(39)21(37)19(35)16(8-31)42-28)13(7-30)27(45-29-24(40)22(38)20(36)17(9-32)43-29)18-14(34)6-15(41-26(10)18)11-2-4-12(33)5-3-11/h2-5,14-17,19-24,28-40H,6-9H2,1H3/t14-,15+,16?,17?,19+,20+,21-,22-,23?,24?,28-,29-/m0/s1
InChIKeyWZGAICRUQPMGRL-HFKJZWIHSA-N
ChEBI Ontology
Outgoing Relation(s)
Triphyllin B (CHEBI:166619) is a flavonoids (CHEBI:72544)
Triphyllin B (CHEBI:166619) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2R,4S)-4-hydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenyl)-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
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