GHS
GHS Classification Search
Isolindleyin
4-(4'-hydroxyphenyl)-2-butanone 4'-O-β-D-(2-O-galloyl)-glycopyranoside
CAS Number: 87075-18-1
IUPAC name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular formula: C23H26O11
Molecular weight: 478.44600
InChI: InChI=1S/C23H26O11/c1-11(25)2-3-12-4-6-14(7-5-12)32-23-21(20(30)19(29)17(10-24)33-23)34-22(31)13-8-15(26)18(28)16(27)9-13/h4-9,17,19-21,23-24,26-30H,2-3,10H2,1H3/t17-,19-,20+,21-,23-/m1/s1
InChIKey: KHUVRRVIZOSFTI-OXUVVOBNSA-N
SMILES: CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O
EINECS: -
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