Mol:FLID2LNS0001
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 |
| − | -1.9366 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9366 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0481 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0481 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5561 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5561 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9524 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9524 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8409 0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8409 0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3330 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3330 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4604 -0.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4604 -0.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1433 -0.0622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1433 -0.0622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2548 0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2548 0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2373 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2373 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6351 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6351 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5159 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5159 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0420 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0420 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6874 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6874 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8067 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8067 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2805 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2805 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5779 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5779 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4363 1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4363 1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3997 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3997 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7359 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7359 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4535 -2.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4535 -2.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2195 -2.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2195 -2.6435 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 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 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 2.1039 -0.885 | + | M SVB 2 25 2.1039 -0.885 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.8184 0.4205 | + | M SVB 1 23 -2.8184 0.4205 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2LNS0001 | + | ID FLID2LNS0001 |
| − | KNApSAcK_ID C00009996 | + | KNApSAcK_ID C00009996 |
| − | NAME Nissolicarpin;3,7-Dihydroxy-2,9-dimethoxypterocarpan | + | NAME Nissolicarpin;3,7-Dihydroxy-2,9-dimethoxypterocarpan |
| − | CAS_RN 89647-64-3 | + | CAS_RN 89647-64-3 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c4)cc(O1)c(c(O)4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2 | + | SMILES COc(c4)cc(O1)c(c(O)4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2 |
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
-1.9366 0.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5561 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9524 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8409 0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3330 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 -0.2819 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1433 -0.0622 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2548 0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2373 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6351 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5159 -1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0420 -1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6874 -1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8067 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2805 -0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5779 -0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4363 1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3997 0.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7359 0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4535 -2.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2195 -2.6435 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 2.1039 -0.885
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.8184 0.4205
S SKP 8
ID FLID2LNS0001
KNApSAcK_ID C00009996
NAME Nissolicarpin;3,7-Dihydroxy-2,9-dimethoxypterocarpan
CAS_RN 89647-64-3
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c4)cc(O1)c(c(O)4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2
M END
