Mol:PR100069
From Metabolomics.JP
(Difference between revisions)
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| − | ACD/Labs12020611323D | + | ACD/Labs12020611323D |
| − | + | ||
| − | 16 18 0 0 0 0 0 0 0 0 1 V2000 | + | 16 18 0 0 0 0 0 0 0 0 1 V2000 |
| − | 12.7688 -9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.7688 -9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.8455 -8.6870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.8455 -8.6870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.1787 -10.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.1787 -10.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9208 -9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9208 -9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.5089 -10.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.5089 -10.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4682 -9.1902 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4682 -9.1902 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5774 -10.1779 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5774 -10.1779 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.2880 -11.7207 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.2880 -11.7207 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9873 -11.4430 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9873 -11.4430 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.2218 -9.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.2218 -9.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.1109 -10.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.1109 -10.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.3979 -11.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.3979 -11.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.6990 -11.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.6990 -11.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.6339 -7.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.6339 -7.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2767 -9.9003 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2767 -9.9003 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3859 -10.8879 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3859 -10.8879 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 4 2 1 0 0 0 0 | + | 4 2 1 0 0 0 0 |
| − | 5 3 2 0 0 0 0 | + | 5 3 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 1 1 0 0 0 0 | + | 3 1 1 0 0 0 0 |
| − | 7 6 2 0 0 0 0 | + | 7 6 2 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 9 7 1 0 0 0 0 | + | 9 7 1 0 0 0 0 |
| − | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
| − | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 12 5 1 0 0 0 0 | + | 12 5 1 0 0 0 0 |
| − | 13 11 1 0 0 0 0 | + | 13 11 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 304-21-2 | + | CAS_RN 304-21-2 |
| − | NAME Harmaline | + | NAME Harmaline |
| + | ID PR100069 | ||
| + | FORMULA C13H14N2O | ||
| + | EXACTMASS 214.11061308 | ||
| + | AVERAGEMASS 214.26314 | ||
| + | SMILES COc(c3)cc(=N1)c(c3)=C(C2)C(=C(C)NC2)1 | ||
M END | M END | ||
Latest revision as of 16:43, 14 January 2011
ACD/Labs12020611323D
16 18 0 0 0 0 0 0 0 0 1 V2000
12.7688 -9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8455 -8.6870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1787 -10.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9208 -9.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5089 -10.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4682 -9.1902 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5774 -10.1779 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2880 -11.7207 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9873 -11.4430 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2218 -9.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.1109 -10.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
15.3979 -11.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6990 -11.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6339 -7.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2767 -9.9003 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3859 -10.8879 -0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
4 2 1 0 0 0 0
5 3 2 0 0 0 0
6 1 1 0 0 0 0
3 1 1 0 0 0 0
7 6 2 0 0 0 0
8 3 1 0 0 0 0
9 7 1 0 0 0 0
9 8 2 0 0 0 0
10 4 2 0 0 0 0
5 4 1 0 0 0 0
11 10 1 0 0 0 0
12 5 1 0 0 0 0
13 11 1 0 0 0 0
13 12 1 0 0 0 0
10 14 1 0 0 0 0
7 15 1 0 0 0 0
15 16 1 0 0 0 0
S SKP 7
CAS_RN 304-21-2
NAME Harmaline
ID PR100069
FORMULA C13H14N2O
EXACTMASS 214.11061308
AVERAGEMASS 214.26314
SMILES COc(c3)cc(=N1)c(c3)=C(C2)C(=C(C)NC2)1
M END
