Mol:FL2FACNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.3832 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8623 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8623 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8623 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 -0.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3582 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8563 1.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 6 18 1 0 0 0 0 2 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 21 25 1 0 0 0 0 25 23 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL2FACNP0003 KNApSAcK_ID C00008457 NAME Sigmoidin D CAS_RN 106533-44-2 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES c(c(O)4)c(O)c(c(c4)1)C(=O)CC(c(c3)cc(c2c(O)3)CC(C(C)(C)O2)O)O1 M END