Mol:LBF20207PG68
Copyright: ARM project http://www.metabolome.jp/
27 27 0 0 0 0 0 0 0 0999 V2000 -1.1926 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9072 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4376 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1122 -0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0665 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 0.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 -0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 -0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6926 1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6925 -1.4014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 6 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 3 1 0 4 8 1 1 8 9 2 0 9 10 1 0 1 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 10 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 7 23 1 6 10 24 1 6 5 25 1 6 16 26 1 0 16 27 1 0
S SKP 6 ID LBF20207PG68 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 AUTODRAW FALSE M END
