Mol:LBF24307PG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 32 0 0 0 0 0 0 0 0999 V2000 7.4801 -0.2907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1711 -1.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9801 -1.8296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7891 -1.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4801 -0.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2200 -1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2991 1.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 2.2408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1180 3.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 3.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 4.8769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9315 4.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -4.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -5.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -5.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 5.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 5.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7669 6.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0624 0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6502 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9801 -2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 2.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 0.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -6.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3492 5.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9479 4.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4692 -0.4998 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 5 4 1 0 0 0 0 1 5 1 0 0 0 0 3 25 1 6 0 0 0 2 6 1 6 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 4 0 0 0 10 26 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 5 27 1 6 0 0 0 14 20 1 0 0 0 0 19 28 1 0 0 0 0 19 29 2 0 0 0 0 13 30 1 0 0 0 0 30 21 1 0 0 0 0 21 31 2 0 0 0 0 21 22 1 0 0 0 0 27 23 1 0 0 0 0 23 32 2 0 0 0 0 23 24 1 0 0 0 0 S SKP 5 ID LBF24307PG01 FORMULA C24H38O8 EXACTMASS 454.256668192 AVERAGEMASS 454.55372 SMILES CC(=O)OC(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@H](OC(C)=O)C[C@@H]1O)O)CC M END