Mol:LBF22307PG04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 27 0 0 0 0 0 0 0 0999 V2000 6.9449 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6359 -1.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4449 -2.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2539 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 -0.7998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3571 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -2.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 0.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 1.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5828 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 3.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 4.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 5.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -3.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 -3.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3179 -4.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 -4.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -5.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 6.0905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2152 6.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6329 6.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 -3.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 -2.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 5.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 5 1 1 0 0 0 0 1 6 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 24 1 1 0 0 0 3 25 1 1 0 0 0 2 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 13 21 1 0 0 0 0 13 27 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF22307PG04 FORMULA C22H39NO4 EXACTMASS 381.28790874099997 AVERAGEMASS 381.5494 SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(N(C)C)=O)[C@@H](C[C@H](O)1)O)O M END