Mol:FL2FAENI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -0.3810 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5342 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5342 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4932 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1567 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8155 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2630 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8155 0.7145 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SBV 1 33 -5.5645 6.5657 S SKP 8 ID FL2FAENI0001 KNApSAcK_ID C00008327 NAME 4'-O-Methyldiplacone CAS_RN - FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES c(c1C(O2)CC(=O)c(c3O)c2cc(O)c3CC=C(CCC=C(C)C)C)c(O)c(OC)cc1 M END