Mol:EEL0251: Difference between revisions
No edit summary |
No edit summary |
||
| Line 188: | Line 188: | ||
88 89 1 0 | 88 89 1 0 | ||
28 90 1 0 | 28 90 1 0 | ||
S SKP | S SKP 6 | ||
AUTODRAW FALSE | |||
ID EEL0251 | ID EEL0251 | ||
FORMULA | FORMULA | ||
Revision as of 05:56, 3 July 2013
Copyright: ARM project http://www.metabolome.jp/
90 95 0 0 0 0 0 0 0 0999 V2000 -8.2250 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5631 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9015 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2395 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5778 0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0419 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3801 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0565 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 -1.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5631 -1.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9037 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -1.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9160 -0.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 -1.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3801 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 -1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 -1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4965 -2.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5430 -1.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9775 -0.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8146 -1.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8416 -0.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2065 -0.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5430 2.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9775 1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5896 1.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4777 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8612 1.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8883 0.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -1.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8760 2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2140 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5523 2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8905 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2287 2.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5204 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8586 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1968 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2307 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5835 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2139 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 -0.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2115 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2115 -0.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 1.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5668 2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 2.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 2.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9108 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 2.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8586 1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2932 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9251 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51 47 1 0 1 42 1 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 22 5 1 0 6 25 1 0 7 6 1 0 8 7 1 0 9 8 1 0 49 9 1 0 11 10 1 0 12 11 1 0 13 12 1 0 14 13 1 0 19 14 1 0 28 17 1 0 40 10 1 0 49 35 1 0 2 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 21 25 1 0 6 26 1 0 11 27 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 33 1 0 33 32 1 0 32 28 1 0 34 33 1 0 35 34 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 84 1 0 38 41 1 0 38 40 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 48 1 0 45 47 1 0 42 46 1 0 49 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 55 54 1 0 77 55 1 0 88 80 1 0 56 88 1 0 85 56 1 0 57 85 1 0 86 57 1 0 59 58 1 0 60 59 1 0 61 60 1 0 62 61 1 0 74 62 1 0 63 72 1 0 64 63 1 0 65 64 1 0 66 65 1 0 67 66 1 0 68 67 1 0 69 68 1 0 84 58 1 0 86 69 1 0 52 70 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 71 75 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 76 80 1 0 67 81 1 0 63 82 1 0 59 83 1 0 86 87 1 0 88 89 1 0 28 90 1 0
S SKP 6 AUTODRAW FALSE ID EEL0251 FORMULA EXACTMASS AVERAGEMASS SMILES M END
