Mol:FLNABENS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1431 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5868 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5868 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1228 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1228 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1228 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1228 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1431 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5868 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5868 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0069 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0069 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5461 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5461 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0990 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0990 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0990 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6992 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6992 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6992 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6992 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6515 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6515 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0258 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0258 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3114 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3114 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1079 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1079 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8223 -1.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8223 -1.9232 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 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 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 SBV 1 22 -5.6394 5.1317 | + | M SBV 1 22 -5.6394 5.1317 |
| − | 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 SBV 2 24 -5.6385 5.1372 | + | M SBV 2 24 -5.6385 5.1372 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNABENS0001 | + | ID FLNABENS0001 |
| − | KNApSAcK_ID C00010243 | + | KNApSAcK_ID C00010243 |
| − | NAME 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin | + | NAME 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin |
| − | CAS_RN 91780-05-1 | + | CAS_RN 91780-05-1 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=O)1 | + | SMILES COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.1431 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5868 1.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 0.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 0.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1228 1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 1.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1431 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5868 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5461 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6992 1.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 1.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6515 -1.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0258 0.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3114 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1079 -1.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8223 -1.9232 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
15 19 1 0 0 0 0
10 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
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 SBV 1 22 -5.6394 5.1317
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 SBV 2 24 -5.6385 5.1372
S SKP 8
ID FLNABENS0001
KNApSAcK_ID C00010243
NAME 7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin
CAS_RN 91780-05-1
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c3)c(O)cc(c3)C(=C1)c(c(OC)2)c(cc(O)c2)OC(=O)1
M END
