Mol:LBGADB0N04
Copyright: ARM project http://www.metabolome.jp/
94 93 0 0 0 0 0 0 0 0999 V2000 12.3914 2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3348 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8039 -1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3851 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8541 -0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4352 0.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5990 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6282 -0.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3756 1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6611 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9469 1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2325 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5181 1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8037 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0893 1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6605 1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 1.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2318 2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3362 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4788 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3852 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8541 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4353 -0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 1.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6283 0.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3757 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6612 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9470 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5182 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0894 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6606 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2319 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -0.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 -1.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7650 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0505 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3363 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9076 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1932 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9069 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9470 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0894 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2319 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3363 -0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 -0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 -0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 2.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 8 1 0 4 7 1 0 9 6 1 0 10 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 15 14 1 0 16 15 1 0 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 22 21 1 0 23 22 1 0 24 23 1 0 26 25 1 0 27 26 1 0 28 27 1 0 29 28 1 0 30 29 1 0 31 30 1 0 32 31 1 0 33 32 1 0 34 33 1 0 35 34 1 0 36 35 1 0 37 36 1 0 38 37 1 0 39 38 1 0 7 25 1 0 11 40 1 0 15 41 1 0 19 42 1 0 27 43 1 0 31 44 1 0 35 45 1 0 39 46 1 0 47 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S SKP 6 AUTODRAW FALSE ID LBGADB0N04 FORMULA EXACTMASS AVERAGEMASS SMILES M END
