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CHEBI:176055 - Apterin

ChEBI IDCHEBI:176055
ChEBI NameApterin
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FormulaC20H24O10
Net Charge0
Average Mass424.402
Monoisotopic Mass424.13695
SMILES[H][C@]1(C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccc3ccc(=O)oc3c2[C@H]1O
InChIInChI=1S/C20H24O10/c1-20(2,30-19-16(26)15(25)13(23)10(7-21)28-19)18-14(24)12-9(27-18)5-3-8-4-6-11(22)29-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14-,15+,16-,18+,19+/m1/s1
InChIKeyALEQYOXVXJKFOM-KTZZUYPUSA-N
ChEBI Ontology
Outgoing Relation(s)
Apterin (CHEBI:176055) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
(8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrouro[2,3-h]chromen-2-one
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