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CHEBI:182218 - 2-(2-Hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one

ChEBI IDCHEBI:182218
ChEBI Name2-(2-Hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O10
Net Charge0
Average Mass424.402
Monoisotopic Mass424.13695
SMILESCC(C)(O)C1Oc2cc3oc(=O)ccc3cc2C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H24O10/c1-20(2,26)18-17(30-19-16(25)15(24)14(23)12(7-21)29-19)9-5-8-3-4-13(22)27-10(8)6-11(9)28-18/h3-6,12,14-19,21,23-26H,7H2,1-2H3/t12-,14-,15+,16-,17?,18?,19+/m1/s1
InChIKeyHGHSJJSYVZPIAW-NWMIEQKASA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-Hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one (CHEBI:182218) is a psoralens (CHEBI:26369)
IUPAC Name 
2-(2-hydroxypropan-2-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrouro[3,2-g]chromen-7-one
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