Mol:FLNAALNM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3974 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3974 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8411 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8411 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2850 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2850 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2850 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2850 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8685 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8685 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8685 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8685 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3972 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3972 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8411 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8411 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2612 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2612 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2612 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2612 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8447 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8447 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8447 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8447 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4448 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4448 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8411 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8411 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2917 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2917 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7546 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7546 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2545 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2545 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3972 -0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3972 -0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1117 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1117 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0849 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0849 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4527 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4527 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 9 24 1 0 0 0 0 | + | 9 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 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 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.3972 -0.1843 | + | M SVB 2 24 1.3972 -0.1843 |
| − | 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 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.7546 2.099 | + | M SVB 1 22 -1.7546 2.099 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAALNM0001 | + | ID FLNAALNM0001 |
| − | KNApSAcK_ID C00010207 | + | KNApSAcK_ID C00010207 |
| − | NAME Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin | + | NAME Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin |
| − | CAS_RN 53290-13-2 | + | CAS_RN 53290-13-2 |
| − | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
| − | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
| − | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
| − | SMILES c(c(C(c32)=CC(=O)Oc2cc(c(c3O)C=O)OC)1)(OC)cc(O)cc1 | + | SMILES c(c(C(c32)=CC(=O)Oc2cc(c(c3O)C=O)OC)1)(OC)cc(O)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.3974 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8685 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8685 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3972 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8447 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8447 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4448 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8411 -0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7546 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2545 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3972 -0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1117 -0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0849 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4527 0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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 2 0 0 0 0
10 18 1 0 0 0 0
14 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
9 24 1 0 0 0 0
24 25 2 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.3972 -0.1843
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.7546 2.099
S SKP 8
ID FLNAALNM0001
KNApSAcK_ID C00010207
NAME Sisafolin;5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin
CAS_RN 53290-13-2
FORMULA C18H14O7
EXACTMASS 342.073952802
AVERAGEMASS 342.29956000000004
SMILES c(c(C(c32)=CC(=O)Oc2cc(c(c3O)C=O)OC)1)(OC)cc(O)cc1
M END
