Mol:FLNAFCNS0002
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2425 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1301 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1301 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0234 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0234 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 1.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 1.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2425 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2425 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1063 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1063 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9996 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9996 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5997 1.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5997 1.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6862 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6862 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4466 -2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4466 -2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5521 -1.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5521 -1.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0997 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0997 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1630 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1630 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4485 -0.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4485 -0.2048 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 |
| − | 2 18 1 0 0 0 0 | + | 2 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 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 10 23 1 0 0 0 0 | + | 10 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -1.163 0.2077 | + | M SVB 2 25 -1.163 0.2077 |
| − | 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 SVB 1 23 -1.5997 1.9267 | + | M SVB 1 23 -1.5997 1.9267 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAFCNS0002 | + | ID FLNAFCNS0002 |
| − | KNApSAcK_ID C00010231 | + | KNApSAcK_ID C00010231 |
| − | NAME 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin | + | NAME 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin |
| − | CAS_RN 123297-24-5 | + | CAS_RN 123297-24-5 |
| − | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
| − | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
| − | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
| − | SMILES COc(c3)c(O)c(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1 | + | SMILES COc(c3)c(O)c(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.2425 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 1.6411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2425 0.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9996 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4466 -2.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5521 -1.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 1.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1630 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4485 -0.2048 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
2 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
10 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -1.163 0.2077
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 SVB 1 23 -1.5997 1.9267
S SKP 8
ID FLNAFCNS0002
KNApSAcK_ID C00010231
NAME 8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
CAS_RN 123297-24-5
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)c(O)c(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1
M END
