Mol:FL3F2GNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.3357 -1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 -2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 -2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2241 -2.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -2.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 -3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0968 -3.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 -3.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 -2.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9853 -4.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -4.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 -5.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7579 -5.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 -5.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3701 -4.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8439 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -0.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -6.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -7.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1392 -5.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 -6.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 -5.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1198 -6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 1.3907 1.6718 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 1.8838 -0.0926 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 2.241 1.0956 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.9555 -0.7583 S SKP 8 ID FL3F2GNS0002 KNApSAcK_ID C00003920 NAME Prosogerin D CAS_RN 75656-30-3 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES C(c12)(=O)C=C(c(c3)cc(c(c(OC)3)OC)OC)Oc1cc(O)c(OC)c2 M END
