Mol:FL7AACGL0123
From Metabolomics.JP
FL7AACGL0123.mol ChemDraw12051213283D 51 57 0 0 0 0 0 0 0 0999 V2000 -0.2500 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 2.0625 -7.9733 O 0 3 0 0 0 5 0 0 0 0 0 0 -1.6790 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 0.4125 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 2.8875 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 2.0625 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -0.4125 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 0.8250 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -1.6500 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 3.3001 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 2.0625 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 1.6501 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -2.0626 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 2.8875 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 4.1251 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8224 2.0626 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -2.8876 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3935 -2.8876 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 3.3000 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -3.3001 -7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -4.1251 -7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 1.2274 -7.7738 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 0.2349 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 0.8642 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 0.5973 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 0.5901 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 0.1085 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 0.4255 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 0.6159 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 0.9004 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -0.2193 -6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 -0.9082 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 0.1776 -6.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 -2.3618 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1122 -1.6925 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 -1.9049 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 -1.6925 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2351 -2.3618 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9782 -2.1495 7.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -3.3342 7.5436 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5032 -2.9401 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -2.1491 7.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9569 -1.7803 -7.9733 C 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 43 42 1 1 43 44 1 0 44 45 1 0 46 45 1 0 46 47 1 1 47 42 1 1 42 48 1 0 47 49 1 0 46 50 1 0 45 51 1 0 40 43 1 0 M CHG 1 7 1 S SKP 5 ID FL7AACGL0123 FORMULA C35H35O16 EXACTMASS 711.192510072 AVERAGEMASS 711.6428 SMILES C(C(Oc(c(c(c7)cc(c(c7)O)O)5)c(c43)C=C(c(c6)ccc(O)c6)Oc3cc(O)cc4[o+1]5)1)(C(O)C(O)C(COC(C2O)OC(C(O)C2O)C)O1)O M END