Mol:FLID1CNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5494 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5494 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5494 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5494 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0490 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0490 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5485 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5485 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0490 1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0490 1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0481 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0481 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4524 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4524 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4524 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4524 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0481 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0481 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9906 1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9906 1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0721 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0721 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6468 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6468 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8818 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8818 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9864 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9864 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5611 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5611 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7962 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7962 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4565 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4565 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1466 1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1466 1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8444 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8444 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9906 -1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9906 -1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3340 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3340 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0485 -1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0485 -1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 8 1 0 0 0 0 | + | 14 8 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 7 20 1 6 0 0 0 | + | 7 20 1 6 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 25 -7.7561 5.6194 | + | M SBV 1 25 -7.7561 5.6194 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNS0002 | + | ID FLID1CNS0002 |
| − | KNApSAcK_ID C00002552 | + | KNApSAcK_ID C00002552 |
| − | NAME (-)-Nissolin | + | NAME (-)-Nissolin |
| − | CAS_RN 73340-42-8 | + | CAS_RN 73340-42-8 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COc(c(O)4)c(O1)c(cc4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2 | + | SMILES COc(c(O)4)c(O1)c(cc4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.5494 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5494 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5485 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9906 1.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 -0.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6468 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8818 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9864 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5611 -0.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7962 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4565 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1466 1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8444 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9906 -1.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3340 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0485 -1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
1 11 1 0 0 0 0
7 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 8 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 14 1 0 0 0 0
8 19 1 6 0 0 0
7 20 1 6 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 ^OCH3
M SBV 1 25 -7.7561 5.6194
S SKP 8
ID FLID1CNS0002
KNApSAcK_ID C00002552
NAME (-)-Nissolin
CAS_RN 73340-42-8
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c(O)4)c(O1)c(cc4)C([H])(C2)C([H])1c(c3)c(cc(O)c3)O2
M END
