Mol:LBF23307PG02
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 28 0 0 0 0 0 0 0 0999 V2000 6.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6359 -2.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4449 -2.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2539 -2.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9449 -1.2565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3571 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1761 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5828 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9950 2.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4017 3.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8140 4.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -3.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 -3.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3179 -4.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 -5.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -6.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -6.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6329 6.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 6.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 7.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 -0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4449 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 -3.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 5.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 4.6156 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 27 1 0 0 0 0 13 28 2 0 0 0 0 27 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 S SKP 5 ID LBF23307PG02 FORMULA C23H40O5 EXACTMASS 396.28757439 AVERAGEMASS 396.56070000000005 SMILES C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(OC(C)C)=O)[C@@H](C[C@H](O)1)O)O M END