Mol:FLNARNNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 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 |
| − | -0.5883 0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5883 0.0238 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 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 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNARNNS0002 | + | ID FLNARNNS0002 |
| − | KNApSAcK_ID C00010240 | + | KNApSAcK_ID C00010240 |
| − | NAME 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin | + | NAME 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin |
| − | CAS_RN 87865-19-8 | + | CAS_RN 87865-19-8 |
| − | FORMULA C15H8O6 | + | FORMULA C15H8O6 |
| − | EXACTMASS 284.032087988 | + | EXACTMASS 284.032087988 |
| − | AVERAGEMASS 284.22042 | + | AVERAGEMASS 284.22042 |
| − | SMILES Oc(c4)cc(O1)c(c43)C(=CC(=O)O3)c(c2)c(cc(O)c(O)2)1 | + | SMILES Oc(c4)cc(O1)c(c43)C(=CC(=O)O3)c(c2)c(cc(O)c(O)2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 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
-0.5883 0.0238 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 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
10 20 1 0 0 0 0
12 20 1 0 0 0 0
15 21 1 0 0 0 0
S SKP 8
ID FLNARNNS0002
KNApSAcK_ID C00010240
NAME 7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin
CAS_RN 87865-19-8
FORMULA C15H8O6
EXACTMASS 284.032087988
AVERAGEMASS 284.22042
SMILES Oc(c4)cc(O1)c(c43)C(=CC(=O)O3)c(c2)c(cc(O)c(O)2)1
M END
