Mol:PBX00041
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 |
| − | 926.0787 -523.8519 0.0000 C 0 0 0 0 0 | + | 926.0787 -523.8519 0.0000 C 0 0 0 0 0 |
| − | 1104.4337 -626.8251 0.0000 C 0 0 0 0 0 | + | 1104.4337 -626.8251 0.0000 C 0 0 0 0 0 |
| − | 1104.4337 -832.7717 0.0000 C 0 0 0 0 0 | + | 1104.4337 -832.7717 0.0000 C 0 0 0 0 0 |
| − | 747.7239 -626.8252 0.0000 C 0 0 0 0 0 | + | 747.7239 -626.8252 0.0000 C 0 0 0 0 0 |
| − | 747.7239 -832.7717 0.0000 C 0 0 0 0 0 | + | 747.7239 -832.7717 0.0000 C 0 0 0 0 0 |
| − | 926.0789 -935.7449 0.0000 C 0 0 0 0 0 | + | 926.0789 -935.7449 0.0000 C 0 0 0 0 0 |
| − | 594.6759 -970.5767 0.0000 C 0 0 0 0 0 | + | 594.6759 -970.5767 0.0000 C 0 0 0 0 0 |
| − | 883.2601-1137.1909 0.0000 N 0 0 0 0 0 | + | 883.2601-1137.1909 0.0000 N 0 0 0 0 0 |
| − | 678.4418-1158.7181 0.0000 C 0 0 0 0 0 | + | 678.4418-1158.7181 0.0000 C 0 0 0 0 0 |
| − | 393.2299 -927.7579 0.0000 C 0 0 0 0 0 | + | 393.2299 -927.7579 0.0000 C 0 0 0 0 0 |
| − | 255.4247-1080.8060 0.0000 C 0 0 0 0 0 | + | 255.4247-1080.8060 0.0000 C 0 0 0 0 0 |
| − | 329.5889 -731.8912 0.0000 O 0 0 0 0 0 | + | 329.5889 -731.8912 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 |
| − | 7 10 1 0 0 0 | + | 7 10 1 0 0 0 |
| − | 8 9 1 0 0 0 | + | 8 9 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 3-Acetylindole | + | NAME 3-Acetylindole |
| + | ID PBX00041 | ||
| + | FORMULA C10H9NO | ||
| + | EXACTMASS 159.068413915 | ||
| + | AVERAGEMASS 159.18460000000002 | ||
| + | SMILES CC(=O)c(c1)c(c2)c(ccc2)n1 | ||
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 926.0787 -523.8519 0.0000 C 0 0 0 0 0 1104.4337 -626.8251 0.0000 C 0 0 0 0 0 1104.4337 -832.7717 0.0000 C 0 0 0 0 0 747.7239 -626.8252 0.0000 C 0 0 0 0 0 747.7239 -832.7717 0.0000 C 0 0 0 0 0 926.0789 -935.7449 0.0000 C 0 0 0 0 0 594.6759 -970.5767 0.0000 C 0 0 0 0 0 883.2601-1137.1909 0.0000 N 0 0 0 0 0 678.4418-1158.7181 0.0000 C 0 0 0 0 0 393.2299 -927.7579 0.0000 C 0 0 0 0 0 255.4247-1080.8060 0.0000 C 0 0 0 0 0 329.5889 -731.8912 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 7 10 1 0 0 0 8 9 1 0 0 0 10 11 1 0 0 0 10 12 2 0 0 0 S SKP 6 NAME 3-Acetylindole ID PBX00041 FORMULA C10H9NO EXACTMASS 159.068413915 AVERAGEMASS 159.18460000000002 SMILES CC(=O)c(c1)c(c2)c(ccc2)n1 M END
