Mol:FL2FACNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.8108 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8108 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6712 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8025 -0.8339 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 14 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL2FACNI0003 KNApSAcK_ID C00008318 NAME Sigmoidin B CAS_RN 87746-47-2 FORMULA C20H20O6 EXACTMASS 356.125988372 AVERAGEMASS 356.3692 SMILES c(c(O)3)c(O)c(c(c3)1)C(=O)CC(c(c2)cc(c(O)c(O)2)CC=C(C)C)O1 M END