Mol:FL1DG9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8390 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8390 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8390 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8390 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2850 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2850 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7310 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7310 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7310 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7310 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2850 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2850 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1773 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1773 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3752 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3752 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9266 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9266 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4767 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4767 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0151 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0151 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5535 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5535 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5535 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5535 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0151 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0151 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4767 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4767 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1773 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1773 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2850 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2850 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2850 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2850 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1773 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1773 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5372 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5372 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5265 -0.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5265 -0.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8944 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8944 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1962 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1962 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6962 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6962 1.8046 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 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 -2.1962 0.9386 | + | M SVB 3 24 -2.1962 0.9386 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.5535 -0.227 | + | M SVB 2 22 -2.5535 -0.227 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -0.1773 0.6395 | + | M SVB 1 20 -0.1773 0.6395 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DG9NS0001 | + | ID FL1DG9NS0001 |
| − | KNApSAcK_ID C00007945 | + | KNApSAcK_ID C00007945 |
| − | NAME Dihydropedicin | + | NAME Dihydropedicin |
| − | CAS_RN 169234-89-3 | + | CAS_RN 169234-89-3 |
| − | FORMULA C18H20O6 | + | FORMULA C18H20O6 |
| − | EXACTMASS 332.125988372 | + | EXACTMASS 332.125988372 |
| − | AVERAGEMASS 332.3478 | + | AVERAGEMASS 332.3478 |
| − | SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)CCc(c1)cccc1 | + | SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)CCc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
-1.8390 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8390 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2850 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7310 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7310 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2850 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1773 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9266 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4767 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0151 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5535 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5535 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0151 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4767 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1773 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2850 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2850 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1773 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5372 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5265 -0.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8944 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1962 0.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6962 1.8046 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -2.1962 0.9386
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.5535 -0.227
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -0.1773 0.6395
S SKP 8
ID FL1DG9NS0001
KNApSAcK_ID C00007945
NAME Dihydropedicin
CAS_RN 169234-89-3
FORMULA C18H20O6
EXACTMASS 332.125988372
AVERAGEMASS 332.3478
SMILES C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)CCc(c1)cccc1
M END
