Mol:FLNAFCNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1431 1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5868 1.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5868 1.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1228 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1228 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1228 1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1228 1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1431 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5868 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5868 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0990 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0990 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6992 1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6992 1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6992 1.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6992 1.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6515 -1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6515 -1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0636 0.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0636 0.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3491 0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3491 0.1103 0.0000 C 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 10 21 1 0 0 0 0 | + | 10 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -5.6771 5.1925 | + | M SBV 1 23 -5.6771 5.1925 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAFCNS0005 | + | ID FLNAFCNS0005 |
| − | KNApSAcK_ID C00010234 | + | KNApSAcK_ID C00010234 |
| − | NAME 7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin | + | NAME 7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin |
| − | CAS_RN 121880-19-1 | + | CAS_RN 121880-19-1 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c3)c(c(cc(O)3)2)C(=CC(=O)O2)c(c1)cc(O)c(O)c1 | + | SMILES COc(c3)c(c(cc(O)3)2)C(=CC(=O)O2)c(c1)cc(O)c(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.1431 1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5868 1.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1431 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5868 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 -0.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6992 1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 1.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -1.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6515 -1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0636 0.5228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3491 0.1103 0.0000 C 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
10 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -5.6771 5.1925
S SKP 8
ID FLNAFCNS0005
KNApSAcK_ID C00010234
NAME 7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
CAS_RN 121880-19-1
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c3)c(c(cc(O)3)2)C(=CC(=O)O2)c(c1)cc(O)c(O)c1
M END
