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CHEBI:166637 - Primflasine

ChEBI IDCHEBI:166637
ChEBI NamePrimflasine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36O19
Net Charge0
Average Mass712.610
Monoisotopic Mass712.18508
SMILESO=c1c(O[C@@H]2OC(CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)C3O[C@@H]3OC[C@H](O)C(O)C3O)C(O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
InChIInChI=1S/C31H36O19/c32-7-16-20(39)28(50-29-23(42)19(38)14(37)9-44-29)31(46-16)48-26-17(8-33)47-30(24(43)22(26)41)49-27-21(40)18-13(36)5-12(35)6-15(18)45-25(27)10-1-3-11(34)4-2-10/h1-6,14,16-17,19-20,22-24,26,28-39,41-43H,7-9H2/t14-,16-,17?,19?,20+,22?,23?,24+,26+,28?,29-,30-,31-/m0/s1
InChIKeyFPVULWYLWQPXST-KFPKLWJASA-N
ChEBI Ontology
Outgoing Relation(s)
Primflasine (CHEBI:166637) is a flavonoids (CHEBI:72544)
Primflasine (CHEBI:166637) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3R,5S)-3,4-dihydroxy-5-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
24844487ChemSpider
LMPK12111743LIPID MAPS