Mol:FL7AACGL0123
From Metabolomics.JP
FL7AACGL0123.mol ChemDraw12051213333D 41 46 0 0 0 0 0 0 0 0999 V2000 -0.2500 0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 0.4125 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -0.4125 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 2.0626 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 2.0625 -0.7591 O 0 3 0 0 0 6 0 0 0 0 0 0 -1.6790 1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 0.4125 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 2.8875 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 2.0625 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -0.4125 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 0.8250 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.6500 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 3.3001 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 2.0625 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 1.6501 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -2.0626 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -2.0626 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 2.8875 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 4.1251 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 2.0626 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -2.8876 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -2.8876 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 3.3000 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -3.3001 -0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -4.1251 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 1.2274 -0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 0.2349 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 0.8642 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 0.5973 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 0.5901 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 0.1085 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 0.4255 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 0.6159 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 0.9004 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -0.2193 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -0.9082 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.1776 0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 2 4 1 0 2 5 1 0 3 6 1 0 3 7 2 0 4 8 2 0 4 9 1 0 5 10 2 0 6 11 1 0 6 12 2 0 7 8 1 0 8 13 1 0 9 14 1 0 9 15 2 0 10 14 1 0 10 16 1 0 11 17 2 0 12 18 1 0 13 19 2 0 15 19 1 0 16 20 2 0 16 21 1 0 17 22 1 0 17 23 1 0 18 22 2 0 19 24 1 0 20 25 1 0 21 26 2 0 22 27 1 0 25 28 2 0 26 28 1 0 28 29 1 0 31 32 1 0 32 33 1 0 34 33 1 0 34 35 1 1 36 35 1 1 31 36 1 1 31 37 1 0 32 38 1 0 36 39 1 0 39 40 1 0 30 33 1 0 34 41 1 0 41 1 1 0 M CHG 1 7 1 S SKP 5 ID FL7AACGL0123 FORMULA C29H25O12 EXACTMASS 565.134601264 AVERAGEMASS 565.5016 SMILES c(c(O)5)c(c42)[o+1]c(c(OC(O6)C(O)C(O)C(O)C(CO)6)c2C=C(Oc4c5)c(c3)ccc(c3)O)c(c1)cc(O)c(O)c1 M END