Mol:PR100987
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | ACD/Labs04270909512D | + | ACD/Labs04270909512D |
| − | + | ||
| − | 13 14 0 0 0 0 0 0 0 0 1 V2000 | + | 13 14 0 0 0 0 0 0 0 0 1 V2000 |
| − | 7.9119 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9119 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9119 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9119 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7445 -9.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7445 -9.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5772 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5772 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5772 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5772 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7445 -7.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7445 -7.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5059 -8.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5059 -8.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0295 -8.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0295 -8.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4244 -7.4351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4244 -7.4351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8492 -9.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8492 -9.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2463 -10.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2463 -10.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6639 -6.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6639 -6.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5870 -6.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5870 -6.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 67282-55-7 | + | CAS_RN 67282-55-7 |
| − | NAME 1-Methoxy-3-carbaldehyde | + | NAME 1-Methoxy-3-carbaldehyde |
| + | ID PR100987 | ||
| + | FORMULA C10H9NO2 | ||
| + | EXACTMASS 175.063328537 | ||
| + | AVERAGEMASS 175.184 | ||
| + | SMILES O=Cc(c1)c(c2)c(ccc2)n(OC)1 | ||
M END | M END | ||
Latest revision as of 10:35, 23 December 2009
ACD/Labs04270909512D
13 14 0 0 0 0 0 0 0 0 1 V2000
7.9119 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9119 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7445 -9.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5772 -8.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5772 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7445 -7.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5059 -8.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0295 -8.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4244 -7.4351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8492 -9.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2463 -10.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6639 -6.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5870 -6.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
7 10 1 0 0 0 0
10 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
S SKP 7
CAS_RN 67282-55-7
NAME 1-Methoxy-3-carbaldehyde
ID PR100987
FORMULA C10H9NO2
EXACTMASS 175.063328537
AVERAGEMASS 175.184
SMILES O=Cc(c1)c(c2)c(ccc2)n(OC)1
M END
