Mol:FLIDHYNS0001
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 |
| − | -2.2828 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2828 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2828 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2828 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7265 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7265 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1702 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1702 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7265 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7265 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6139 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0576 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 0.8251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0576 0.8251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6139 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6139 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0933 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0933 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6880 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6880 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6880 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6880 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0933 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0933 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6122 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6122 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5540 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5540 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4200 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4200 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6401 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6401 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1401 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1401 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4985 1.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4985 1.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2129 0.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2129 0.7337 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 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 |
| − | 9 22 1 0 0 0 0 | + | 9 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 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.4985 1.1462 | + | M SVB 3 25 0.4985 1.1462 |
| − | 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 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.6401 1.4439 | + | M SVB 2 23 -2.6401 1.4439 |
| − | 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 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.9256 -1.0314 | + | M SVB 1 21 1.9256 -1.0314 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHYNS0001 | + | ID FLIDHYNS0001 |
| − | KNApSAcK_ID C00010004 | + | KNApSAcK_ID C00010004 |
| − | NAME 6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan | + | NAME 6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan |
| − | CAS_RN 90686-11-6 | + | CAS_RN 90686-11-6 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES O(C2OC)c(c(C(O4)C2c(c43)ccc(OC)c3)1)cc(OC)cc1 | + | SMILES O(C2OC)c(c(C(O4)C2c(c43)ccc(OC)c3)1)cc(OC)cc1 |
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
-2.2828 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1702 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 1.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -0.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0576 0.1827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0576 0.8251 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6139 1.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 -1.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6880 -0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0933 0.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6122 -0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5540 -1.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4200 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6401 1.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1401 2.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 1.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2129 0.7337 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
12 17 1 0 0 0 0
14 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
9 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 25
M SMT 3 OCH3
M SVB 3 25 0.4985 1.1462
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.6401 1.4439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.9256 -1.0314
S SKP 8
ID FLIDHYNS0001
KNApSAcK_ID C00010004
NAME 6-Methoxyhomopterocarpin;(6S,6aS,11aR)-3,6,9-Trimethoxypterocarpan
CAS_RN 90686-11-6
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES O(C2OC)c(c(C(O4)C2c(c43)ccc(OC)c3)1)cc(OC)cc1
M END
