Mol:FLID3GNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.1218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.1218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6078 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6078 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2825 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2825 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1398 2.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1398 2.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4203 -1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4203 -1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6762 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6762 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3907 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3907 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0117 2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0117 2.6356 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 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 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 |
| − | 15 18 1 0 0 0 0 | + | 15 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 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -1.4482 1.7359 | + | M SVB 4 28 -1.4482 1.7359 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.6762 -1.3234 | + | M SVB 3 26 0.6762 -1.3234 |
| − | 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 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.9253 -1.0148 | + | M SVB 2 24 1.9253 -1.0148 |
| − | 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 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.6398 1.4605 | + | M SVB 1 22 -2.6398 1.4605 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3GNS0001 | + | ID FLID3GNS0001 |
| − | KNApSAcK_ID C00009635 | + | KNApSAcK_ID C00009635 |
| − | NAME 8-Hydroxy-3,4,9,10-tetramethoxypterocarpan | + | NAME 8-Hydroxy-3,4,9,10-tetramethoxypterocarpan |
| − | CAS_RN 76474-67-4 | + | CAS_RN 76474-67-4 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES c(c4OC)(OC)ccc(c41)C(O2)C(c(c3)c2c(c(c3O)OC)OC)CO1 | + | SMILES c(c4OC)(OC)ccc(c41)C(O2)C(c(c3)c2c(c(c3O)OC)OC)CO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.1994 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2825 0.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1398 2.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 -1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6762 -1.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -1.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 2.6356 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 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 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -1.4482 1.7359
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.6762 -1.3234
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.9253 -1.0148
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.6398 1.4605
S SKP 8
ID FLID3GNS0001
KNApSAcK_ID C00009635
NAME 8-Hydroxy-3,4,9,10-tetramethoxypterocarpan
CAS_RN 76474-67-4
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES c(c4OC)(OC)ccc(c41)C(O2)C(c(c3)c2c(c(c3O)OC)OC)CO1
M END
