Mol:FLIDWXNS0010
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7864 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7864 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3757 -1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3757 -1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2418 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2418 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3183 2.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3183 2.3431 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 -2.8184 1.477 | + | M SVB 3 27 -2.8184 1.477 |
| − | 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 1.7467 -0.9983 | + | M SVB 2 25 1.7467 -0.9983 |
| − | 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 2.1039 0.2379 | + | M SVB 1 23 2.1039 0.2379 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDWXNS0010 | + | ID FLIDWXNS0010 |
| − | KNApSAcK_ID C00009702 | + | KNApSAcK_ID C00009702 |
| − | NAME Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene | + | NAME Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene |
| − | CAS_RN 55306-14-4 | + | CAS_RN 55306-14-4 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)1)COc(c(O)2)c1ccc2OC | + | SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)1)COc(c(O)2)c1ccc2OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-2.4612 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3183 2.3431 0.0000 C 0 0 0 0 0 0 0 0 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 2 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 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
13 18 1 0 0 0 0
6 19 1 0 0 0 0
15 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
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.8184 1.477
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 1.7467 -0.9983
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 2.1039 0.2379
S SKP 8
ID FLIDWXNS0010
KNApSAcK_ID C00009702
NAME Bryacarpene 1;4,10-Dihydroxy-3,8,9-trimethoxypterocarpene
CAS_RN 55306-14-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)1)COc(c(O)2)c1ccc2OC
M END
