Mol:FL3FELNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.8240 -1.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -1.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7876 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4664 -1.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 -0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5371 0.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3932 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7025 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3752 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 -0.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7696 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8751 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3751 1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 -1.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8239 -2.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -3.4695 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 1 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 27 28 M SBL 5 1 29 M SMT 5 OCH3 M SVB 5 29 -2.5983 0.6243 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 -2.9555 -0.5453 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 0.183 1.6001 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 1.8838 0.1204 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 2.241 1.3086 S SKP 8 ID FL3FELNS0004 KNApSAcK_ID C00003940 NAME Agehoustin G CAS_RN 96410-44-5 FORMULA C20H20O8 EXACTMASS 388.11581761599996 AVERAGEMASS 388.368 SMILES COc(c3OC)cc(c1c3O)OC(c(c2OC)cc(OC)c(c2)OC)=CC(=O)1 M END
