PFAS
Global PFAS Screening Tool
No. of Substances: 18960
3-[[6-O-(2-Carboxyacetyl)-I(2)-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(I(2)-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CAS Number: 194093-39-5
IUPAC name: 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Molecular formula: C30H32O20
Molecular weight: 712.6
InChI: InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)/t15-,16-,20-,21-,23+,24+,25-,26-,29-,30+/m1/s1
InChIKey: ZLQYEKDHCDLAGO-DDGSWIOPSA-N
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)O)O)O)O)O)O
EINECS: -
