Mol:FL4DRNNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -1.7778 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7778 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2151 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8261 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2313 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4589 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9398 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3057 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8196 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8196 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 0.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4589 -0.4466 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 7 11 2 0 0 0 0 8 12 1 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 9 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 18 21 1 0 0 0 0 8 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 9 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 14 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 1 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 S SKP 8 ID FL4DRNNP0002 KNApSAcK_ID C00008630 NAME Sorocein D CAS_RN 157382-81-5 FORMULA C30H32O7 EXACTMASS 504.214803378 AVERAGEMASS 504.57088 SMILES C(=CCc(c15)c(ccc(C(C(O5)4O)(CC=C(C)C)Oc(c3C4=O)cc(O2)c(c(O)3)C=CC2(C)C)1)O)(C)C M END