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CHEBI:182580 - 1-[2,4,6-Trihydroxy-3,5-bis(beta-D-glucopyranosyl)phenyl]-3-phenyl-1-propanone

ChEBI IDCHEBI:182580
ChEBI Name1-[2,4,6-Trihydroxy-3,5-bis(beta-D-glucopyranosyl)phenyl]-3-phenyl-1-propanone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O14
Net Charge0
Average Mass582.555
Monoisotopic Mass582.19486
SMILES[H][C@@]1(c2c(O)c(C(=O)CCc3ccccc3)c(O)c([C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H34O14/c28-8-12-17(31)22(36)24(38)26(40-12)15-19(33)14(11(30)7-6-10-4-2-1-3-5-10)20(34)16(21(15)35)27-25(39)23(37)18(32)13(9-29)41-27/h1-5,12-13,17-18,22-29,31-39H,6-9H2/t12-,13-,17-,18-,22+,23+,24-,25-,26+,27+/m1/s1
InChIKeyOMPFZUXZCIVLSI-DBGLWBBTSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2,4,6-Trihydroxy-3,5-bis(beta-D-glucopyranosyl)phenyl]-3-phenyl-1-propanone (CHEBI:182580) is a chalcones (CHEBI:23086)
IUPAC Name 
3-phenyl-1-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one
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