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CHEBI:179358 - Neoraufuracin

ChEBI IDCHEBI:179358
ChEBI NameNeoraufuracin
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FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILESCOC1OC(CO)C(O)C(O)C1O[C@H]1c2ccc(O)cc2O[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C22H26O9/c1-28-22-21(19(27)18(26)17(10-23)30-22)31-20-14-7-6-13(25)9-15(14)29-16(20)8-11-2-4-12(24)5-3-11/h2-7,9,16-27H,8,10H2,1H3/t16-,17?,18?,19?,20+,21?,22?/m1/s1
InChIKeyNYWDXRKGBVXINM-VFPFRSCASA-N
ChEBI Ontology
Outgoing Relation(s)
Neoraufuracin (CHEBI:179358) is a glycoside (CHEBI:24400)
IUPAC Name 
5-[[(2R,3S)-6-hydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzouran-3-yl]oxy]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
Manual XrefsDatabases
24846196ChemSpider
LMPK12130057LIPID MAPS