Mol:FL4DRNNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -1.5788 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0162 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0768 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3214 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8707 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1478 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6579 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7408 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 -1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6579 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 -1.7760 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 1 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL4DRNNI0001 KNApSAcK_ID C00008632 NAME Sorocein F CAS_RN 163687-42-1 FORMULA C30H34O7 EXACTMASS 506.230453442 AVERAGEMASS 506.58676 SMILES C(=CCc(c21)c(ccc1C(CC=C(C)C)(O4)C(O)(C(c(c34)c(O)c(c(O)c3)CC=C(C)C)=O)O2)O)(C)C M END
</pre>