Mol:LBF22307PG05
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 28 0 0 0 0 0 0 0 0999 V2000 6.9449 -1.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6359 -2.6121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4449 -3.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2539 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 -1.6611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3571 -0.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -2.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 0.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5828 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 3.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 4.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -3.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 -4.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3179 -5.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 -5.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -6.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -6.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 5.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6329 6.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 6.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -0.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 -4.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 -3.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 4.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4519 7.7608 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 22 23 1 0 0 0 0 23 28 1 0 0 0 0 S SKP 5 ID LBF22307PG05 FORMULA C22H39NO5 EXACTMASS 397.282823363 AVERAGEMASS 397.5488 SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(=O)NCCO)[C@@H](C[C@H](O)1)O)O M END