Mol:LBGACP2G01: Difference between revisions
(Created page with "LBGACP2G01.mol ChemDraw10021317202D 100100 0 0 0 0 0 0 0 0999 V2000 -12.8711 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9618 1.6341 ...") |
No edit summary |
||
| Line 1: | Line 1: | ||
Copyright: ARM project http://www.metabolome.jp/ | |||
100100 0 0 0 0 0 0 0 0999 V2000 | 100100 0 0 0 0 0 0 0 0999 V2000 | ||
-12.8711 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -12.8711 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| Line 207: | Line 207: | ||
A 100 | A 100 | ||
Glc | Glc | ||
S SKP | S SKP 6 | ||
AUTODRAW FALSE | |||
ID LBGACP2G01 | ID LBGACP2G01 | ||
FORMULA | FORMULA | ||
Latest revision as of 08:38, 2 October 2013
Copyright: ARM project http://www.metabolome.jp/
100100 0 0 0 0 0 0 0 0999 V2000
-12.8711 1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9618 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2476 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5334 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8188 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1044 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3901 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6757 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9611 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2467 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5325 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9993 -1.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3649 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6507 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9363 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2218 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5075 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7293 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0149 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3006 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8717 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2476 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3901 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5325 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6507 -1.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7293 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8717 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9604 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3377 -0.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4212 0.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5637 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8494 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 -0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2774 -1.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 -0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 -1.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1343 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4199 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -1.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 -0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5869 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2382 1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8093 1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0952 1.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3307 1.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9018 1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 1.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5271 1.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8493 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1342 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 2.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5273 2.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7068 -1.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7068 -1.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 1.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 1.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2633 1.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9998 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2242 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 1.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 2.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3397 -0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7297 0.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0712 1.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1530 -0.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8397 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3150 -2.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1230 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0925 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8398 0.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4967 -2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0147 1.4421 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.0147 2.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8397 1.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0147 0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0914 1.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4346 -2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 3 2 1 0 4 3 1 0 5 4 1 0 6 5 1 0 7 6 1 0 8 7 1 0 9 8 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 17 16 1 0 18 17 1 0 19 18 1 0 20 19 1 0 21 20 1 0 23 22 1 0 24 23 1 0 25 24 1 0 26 25 1 0 3 27 1 0 7 28 1 0 11 29 1 0 15 30 1 0 18 31 1 0 22 32 1 0 26 33 1 0 15 34 1 0 26 35 1 0 36 37 1 0 37 38 1 0 36 39 1 0 40 38 1 0 41 40 1 0 42 41 1 0 43 42 1 0 44 43 1 0 45 44 1 0 46 45 1 0 47 46 1 0 48 47 1 0 49 48 1 0 50 49 1 0 51 50 1 0 52 51 1 0 53 52 1 0 54 53 1 0 56 55 1 0 57 56 1 0 58 57 1 0 59 58 1 0 60 59 1 0 62 61 1 0 63 62 1 0 64 63 1 0 65 64 1 0 39 55 1 0 42 66 1 0 46 67 1 0 50 68 1 0 54 69 1 0 57 70 1 0 61 71 1 0 65 72 1 0 54 73 1 0 65 74 1 0 34 74 1 0 35 73 1 0 75 76 1 0 21 76 1 0 22 77 1 0 79 80 1 0 61 78 1 0 60 80 1 0 76 81 1 0 77 82 1 0 82 81 1 0 79 83 1 0 83 78 1 0 80 84 1 0 85 86 1 0 86 87 1 0 85 88 1 0 16 88 1 0 1 87 1 0 85 89 1 0 89 90 1 0 36 91 1 0 36 92 1 0 85 93 1 0 90 94 1 0 95 96 2 0 95 97 1 0 95 98 1 0 95 99 1 0 91 99 1 0 94100 1 0
A 94 Glc A 100 Glc S SKP 6 AUTODRAW FALSE ID LBGACP2G01 FORMULA EXACTMASS AVERAGEMASS SMILES M END
