Mol:LBF20307PG41
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 24 0 0 0 0 0 0 0 0999 V2000 7.4801 -0.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1711 -1.3463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9801 -1.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -1.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4801 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -1.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 2.1363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1180 3.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 4.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3492 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -3.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -4.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -5.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7559 6.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9801 -2.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 2.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -6.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 5 1 0 0 0 0 3 21 2 0 0 0 0 6 7 1 0 0 0 0 1 8 1 1 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 13 14 1 0 0 0 0 10 22 1 1 0 0 0 7 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 2 6 1 6 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 S SKP 5 ID LBF20307PG41 FORMULA C20H30O4 EXACTMASS 334.21440944799997 AVERAGEMASS 334.4498 SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)C=CC(=O)1)CC M END