Mol:PBX00040
From Metabolomics.JP
(Difference between revisions)
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| − | OpenBabel10130914012D | + | OpenBabel10130914012D |
| − | + | ||
| − | 12 13 0 0 0 0 0 0 0 0999 V2000 | + | 12 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 903.5034 -523.8527 0.0000 C 0 0 0 0 0 | + | 903.5034 -523.8527 0.0000 C 0 0 0 0 0 |
| − | 1081.8584 -626.8254 0.0000 C 0 0 0 0 0 | + | 1081.8584 -626.8254 0.0000 C 0 0 0 0 0 |
| − | 1081.8583 -832.7717 0.0000 C 0 0 0 0 0 | + | 1081.8583 -832.7717 0.0000 C 0 0 0 0 0 |
| − | 725.1494 -626.8254 0.0000 C 0 0 0 0 0 | + | 725.1494 -626.8254 0.0000 C 0 0 0 0 0 |
| − | 725.1494 -832.7716 0.0000 C 0 0 0 0 0 | + | 725.1494 -832.7716 0.0000 C 0 0 0 0 0 |
| − | 903.5034 -935.7446 0.0000 C 0 0 0 0 0 | + | 903.5034 -935.7446 0.0000 C 0 0 0 0 0 |
| − | 572.1014 -970.5765 0.0000 C 0 0 0 0 0 | + | 572.1014 -970.5765 0.0000 C 0 0 0 0 0 |
| − | 860.6847-1137.1907 0.0000 N 0 0 0 0 0 | + | 860.6847-1137.1907 0.0000 N 0 0 0 0 0 |
| − | 655.8672-1158.7174 0.0000 C 0 0 0 0 0 | + | 655.8672-1158.7174 0.0000 C 0 0 0 0 0 |
| − | 998.4896-1290.2380 0.0000 C 0 0 0 0 0 | + | 998.4896-1290.2380 0.0000 C 0 0 0 0 0 |
| − | 1199.9349-1247.4199 0.0000 C 0 0 0 0 0 | + | 1199.9349-1247.4199 0.0000 C 0 0 0 0 0 |
| − | 934.8489-1486.1042 0.0000 O 0 0 0 0 0 | + | 934.8489-1486.1042 0.0000 O 0 0 0 0 0 |
| − | 1 2 2 0 0 0 | + | 1 2 2 0 0 0 |
| − | 1 4 1 0 0 0 | + | 1 4 1 0 0 0 |
| − | 2 3 1 0 0 0 | + | 2 3 1 0 0 0 |
| − | 3 6 2 0 0 0 | + | 3 6 2 0 0 0 |
| − | 4 5 2 0 0 0 | + | 4 5 2 0 0 0 |
| − | 5 6 1 0 0 0 | + | 5 6 1 0 0 0 |
| − | 5 7 1 0 0 0 | + | 5 7 1 0 0 0 |
| − | 6 8 1 0 0 0 | + | 6 8 1 0 0 0 |
| − | 7 9 2 0 0 0 | + | 7 9 2 0 0 0 |
| − | 8 9 1 0 0 0 | + | 8 9 1 0 0 0 |
| − | 8 10 1 0 0 0 | + | 8 10 1 0 0 0 |
| − | 10 11 1 0 0 0 | + | 10 11 1 0 0 0 |
| − | 10 12 2 0 0 0 | + | 10 12 2 0 0 0 |
| − | S SKP | + | S SKP 6 |
| − | NAME N-Acetylindole | + | NAME N-Acetylindole |
| + | ID PBX00040 | ||
| + | FORMULA C10H9NO | ||
| + | EXACTMASS 159.068413915 | ||
| + | AVERAGEMASS 159.18460000000002 | ||
| + | SMILES CC(=O)n(c1)c(c2)c(ccc2)c1 | ||
M END | M END | ||
Latest revision as of 20:48, 21 February 2011
OpenBabel10130914012D 12 13 0 0 0 0 0 0 0 0999 V2000 903.5034 -523.8527 0.0000 C 0 0 0 0 0 1081.8584 -626.8254 0.0000 C 0 0 0 0 0 1081.8583 -832.7717 0.0000 C 0 0 0 0 0 725.1494 -626.8254 0.0000 C 0 0 0 0 0 725.1494 -832.7716 0.0000 C 0 0 0 0 0 903.5034 -935.7446 0.0000 C 0 0 0 0 0 572.1014 -970.5765 0.0000 C 0 0 0 0 0 860.6847-1137.1907 0.0000 N 0 0 0 0 0 655.8672-1158.7174 0.0000 C 0 0 0 0 0 998.4896-1290.2380 0.0000 C 0 0 0 0 0 1199.9349-1247.4199 0.0000 C 0 0 0 0 0 934.8489-1486.1042 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 1 4 1 0 0 0 2 3 1 0 0 0 3 6 2 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 7 9 2 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 S SKP 6 NAME N-Acetylindole ID PBX00040 FORMULA C10H9NO EXACTMASS 159.068413915 AVERAGEMASS 159.18460000000002 SMILES CC(=O)n(c1)c(c2)c(ccc2)c1 M END
