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CHEBI:181616 - 4-[2-Hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one

ChEBI IDCHEBI:181616
ChEBI Name4-[2-Hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
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DownloadsMolfile
FormulaC22H26O11
Net Charge0
Average Mass466.439
Monoisotopic Mass466.14751
SMILESCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C22H26O11/c1-22(2,33-21-19(28)18(27)17(26)14(8-23)32-21)15(24)9-30-20-10-3-4-16(25)31-13(10)7-12-11(20)5-6-29-12/h3-7,14-15,17-19,21,23-24,26-28H,8-9H2,1-2H3/t14-,15?,17-,18+,19-,21+/m1/s1
InChIKeyVCJBNRNRYLKSGX-NUTNSJPXSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-Hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one (CHEBI:181616) is a psoralens (CHEBI:26369)
IUPAC Name 
4-[2-hydroxy-3-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]uro[3,2-g]chromen-7-one
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