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CHEBI:228310 - Polygalaxanthone III

ChEBI IDCHEBI:228310
ChEBI NamePolygalaxanthone III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O15
Net Charge0
Average Mass568.484
Monoisotopic Mass568.14282
SMILES[H][C@@]1(c2c(O)cc3oc4cc(O)c(OC)cc4c(=O)c3c2O)O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H28O15/c1-36-12-2-8-11(3-9(12)27)39-13-4-10(28)15(19(31)16(13)17(8)29)22-21(33)20(32)18(30)14(40-22)5-37-24-23(34)25(35,6-26)7-38-24/h2-4,14,18,20-24,26-28,30-35H,5-7H2,1H3/t14-,18-,20+,21-,22+,23+,24-,25-/m1/s1
InChIKeyLLJUCXMVRPAONX-AYATVRNWSA-N
ChEBI Ontology
Outgoing Relation(s)
Polygalaxanthone III (CHEBI:228310) is a xanthones (CHEBI:51149)
IUPAC Name 
2-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
Manual XrefsDatabases
9344158ChemSpider