Mol:FLID3CNS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.2504 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.2504 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6119 -0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6119 -0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0118 2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0118 2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4203 -1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4203 -1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1399 2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1399 2.3775 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 |
| − | 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 |
| − | 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 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 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 -2.6398 1.5115 | + | M SVB 3 26 -2.6398 1.5115 |
| − | 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 -0.9637 | + | M SVB 2 24 1.9253 -0.9637 |
| − | 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 -1.4482 1.787 | + | M SVB 1 22 -1.4482 1.787 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3CNS0008 | + | ID FLID3CNS0008 |
| − | KNApSAcK_ID C00010001 | + | KNApSAcK_ID C00010001 |
| − | NAME Odoricarpan;10-Hydroxy-3,4,9-trimethoxypterocarpan | + | NAME Odoricarpan;10-Hydroxy-3,4,9-trimethoxypterocarpan |
| − | CAS_RN 101153-42-8 | + | CAS_RN 101153-42-8 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c4OC)(OC)ccc(c41)C(O3)C(c(c23)ccc(c2O)OC)CO1 | + | SMILES c(c4OC)(OC)ccc(c41)C(O3)C(c(c23)ccc(c2O)OC)CO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.2504 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -0.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0118 2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -1.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 2.3775 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
13 18 1 0 0 0 0
6 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
1 23 1 0 0 0 0
23 24 1 0 0 0 0
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 -2.6398 1.5115
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 -0.9637
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 -1.4482 1.787
S SKP 8
ID FLID3CNS0008
KNApSAcK_ID C00010001
NAME Odoricarpan;10-Hydroxy-3,4,9-trimethoxypterocarpan
CAS_RN 101153-42-8
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c4OC)(OC)ccc(c41)C(O3)C(c(c23)ccc(c2O)OC)CO1
M END
