Mol:LBF20406LT20
Copyright: ARM project http://www.metabolome.jp/
39 38 0 0 0 0 0 0 0 0999 V2000 -0.7232 1.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4352 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1472 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8592 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5712 1.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 1.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9951 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9951 0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4118 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 -1.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 -2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1374 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5665 1.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 2.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 2.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7207 -0.3782 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -0.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -0.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 0.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -1.2032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -1.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -0.3782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -2.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 -2.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 16 17 1 0 17 18 1 0 17 19 2 0 16 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 26 30 1 1 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 1 6 31 38 2 0 35 39 2 0 1 22 1 0 1 24 1 6
S SKP 6 ID LBF20406LT20 FORMULA C28H44N2O8S EXACTMASS 568.281837084 AVERAGEMASS 568.72364 SMILES C([C@H](O)[C@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O)C=CC=CC=CCC=CCCCCC)CCC(O)=O AUTODRAW FALSE M END
