Mol:FL1CALNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6887 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6887 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6887 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0198 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0198 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4635 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4635 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0926 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0926 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6487 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6487 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2097 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2097 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7707 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7707 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7707 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7707 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2097 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2097 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6487 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6487 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0198 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0198 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1324 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1324 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3315 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3315 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0460 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0460 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0460 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0460 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5461 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5461 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0200 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0200 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3056 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3056 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -0.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -0.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 -1.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 -1.0472 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 11 24 1 0 0 0 0 | + | 11 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 25 | + | M SBL 4 1 25 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 25 0.7756 -0.6347 | + | M SVB 4 25 0.7756 -0.6347 |
| − | 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 -1.02 0.8145 | + | M SVB 3 23 -1.02 0.8145 |
| − | 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 -3.046 1.1122 | + | M SVB 2 21 -3.046 1.1122 |
| − | 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 2.3315 0.8227 | + | M SVB 1 19 2.3315 0.8227 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CALNS0002 | + | ID FL1CALNS0002 |
| − | KNApSAcK_ID C00006966 | + | KNApSAcK_ID C00006966 |
| − | NAME Cerasidin | + | NAME Cerasidin |
| − | CAS_RN 64200-22-2 | + | CAS_RN 64200-22-2 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(c1C(=O)C=Cc(c2)c(OC)cc(OC)c2)(O)cc(OC)cc1OC | + | SMILES c(c1C(=O)C=Cc(c2)c(OC)cc(OC)c2)(O)cc(OC)cc1OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
-2.6887 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6887 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4635 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0926 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7707 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2097 0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0198 -0.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3315 0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0460 0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0460 1.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5461 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0200 0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3056 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -0.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 -1.0472 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 2 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
13 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
11 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 25
M SMT 4 OCH3
M SVB 4 25 0.7756 -0.6347
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 -1.02 0.8145
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 -3.046 1.1122
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 2.3315 0.8227
S SKP 8
ID FL1CALNS0002
KNApSAcK_ID C00006966
NAME Cerasidin
CAS_RN 64200-22-2
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c1C(=O)C=Cc(c2)c(OC)cc(OC)c2)(O)cc(OC)cc1OC
M END
