Mol:FL1DCBNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6440 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6440 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6440 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0900 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5360 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5360 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5360 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5360 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0900 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4297 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4297 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1216 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1216 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6717 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6717 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7485 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7485 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7485 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2101 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2101 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6717 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6717 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0900 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0900 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0012 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0012 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5012 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5012 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2867 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2867 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0012 0.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0012 0.3689 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 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 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 2.2867 0.7814 | + | M SVB 2 22 2.2867 0.7814 |
| − | 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 -3.0012 1.1088 | + | M SVB 1 20 -3.0012 1.1088 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DCBNS0001 | + | ID FL1DCBNS0001 |
| − | KNApSAcK_ID C00007939 | + | KNApSAcK_ID C00007939 |
| − | NAME Calomelanone | + | NAME Calomelanone |
| − | CAS_RN 35241-54-4 | + | CAS_RN 35241-54-4 |
| − | FORMULA C17H18O5 | + | FORMULA C17H18O5 |
| − | EXACTMASS 302.115423686 | + | EXACTMASS 302.115423686 |
| − | AVERAGEMASS 302.32182 | + | AVERAGEMASS 302.32182 |
| − | SMILES COc(c2)ccc(c2)CCC(=O)c(c(O)1)c(O)cc(OC)c1 | + | SMILES COc(c2)ccc(c2)CCC(=O)c(c(O)1)c(O)cc(OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.6440 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 -0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5360 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5360 0.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 0.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4297 -0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1216 -0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6717 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 -0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 0.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6717 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0900 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 0.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0012 1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5012 1.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2867 0.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 0.3689 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
5 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
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 2.2867 0.7814
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 -3.0012 1.1088
S SKP 8
ID FL1DCBNS0001
KNApSAcK_ID C00007939
NAME Calomelanone
CAS_RN 35241-54-4
FORMULA C17H18O5
EXACTMASS 302.115423686
AVERAGEMASS 302.32182
SMILES COc(c2)ccc(c2)CCC(=O)c(c(O)1)c(O)cc(OC)c1
M END
