GHS
GHS Classification Search
Fragarin
CAS Number: 574-57-2
IUPAC name: (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol hydroxide
Molecular formula: C21H22O11
Molecular weight: 450.4
InChI: InChI=1S/C21H20O10.H2O/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H2/t16-,17+,18+,19-,21-;/m1./s1
InChIKey: VBTDDNNBANEIHF-QSLGVYCOSA-N
SMILES: C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O.[OH-]
EINECS: -
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