Mol:FL1DRTNS0005
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5457 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5457 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5457 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4377 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4377 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9917 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9917 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3315 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3315 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2198 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2198 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8467 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8467 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3084 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3084 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7700 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7700 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8840 -1.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8840 -1.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0994 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0994 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8630 -0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8630 -0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5775 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5775 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3850 0.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3850 0.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0994 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0994 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4128 1.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4128 1.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0871 1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0871 1.9645 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 0.4128 1.0984 | + | M SVB 3 23 0.4128 1.0984 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 2.385 0.7904 | + | M SVB 2 21 2.385 0.7904 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 0.863 -0.6083 | + | M SVB 1 19 0.863 -0.6083 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DRTNS0005 | + | ID FL1DRTNS0005 |
| − | KNApSAcK_ID C00007933 | + | KNApSAcK_ID C00007933 |
| − | NAME Loureirin B | + | NAME Loureirin B |
| − | CAS_RN 119425-90-0 | + | CAS_RN 119425-90-0 |
| − | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
| − | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
| − | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
| − | SMILES c(c1CCC(=O)c(c2)ccc(O)c2)(OC)cc(OC)cc1OC | + | SMILES c(c1CCC(=O)c(c2)ccc(O)c2)(OC)cc(OC)cc1OC |
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 24 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -1.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8630 -0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5775 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4128 1.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0871 1.9645 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
1 17 1 0 0 0 0
11 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 0.4128 1.0984
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 2.385 0.7904
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 0.863 -0.6083
S SKP 8
ID FL1DRTNS0005
KNApSAcK_ID C00007933
NAME Loureirin B
CAS_RN 119425-90-0
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c1CCC(=O)c(c2)ccc(O)c2)(OC)cc(OC)cc1OC
M END
