Mol:FL3FCDGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.4078 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4078 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -1.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2775 2.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 -1.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2091 -3.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7652 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8723 -2.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 -3.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 -3.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -4.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7182 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 2.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4441 4.2173 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 18 15 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 30 31 1 0 0 0 0 1 30 1 0 0 0 0 32 33 1 0 0 0 0 16 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 ^ OCH3 M SBV 1 34 0.5333 -0.4035 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 36 M SMT 2 OCH3 M SBV 2 36 -0.0287 -0.7222 S SKP 5 ID FL3FCDGS0001 FORMULA C23H24O10 EXACTMASS 460.136946988 AVERAGEMASS 460.43066 SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc1OC(O2)C(C(C(O)C2C)O)O M END