Mol:FL2FAANN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8045 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8045 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0903 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0903 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8045 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8045 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0893 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0893 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3751 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3751 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3756 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3756 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3396 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3396 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0539 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0539 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0534 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0534 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3387 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3387 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6823 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6823 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3970 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3970 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1112 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1112 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1107 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1107 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3960 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3960 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6818 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6818 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3400 -0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3400 -0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0889 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0889 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8011 2.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8011 2.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2334 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2334 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2334 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2334 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8011 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8011 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2337 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2337 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2337 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2337 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8047 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8047 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8047 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8047 -1.3656 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 4 18 1 0 0 0 0 | + | 4 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 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 3 1 0 0 0 0 | + | 23 3 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANN0001 | + | ID FL2FAANN0001 |
| − | KNApSAcK_ID C00014282 | + | KNApSAcK_ID C00014282 |
| − | NAME Calomelanol H;3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione | + | NAME Calomelanol H;3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione |
| − | CAS_RN 143228-45-9 | + | CAS_RN 143228-45-9 |
| − | FORMULA C24H18O6 | + | FORMULA C24H18O6 |
| − | EXACTMASS 402.110338308 | + | EXACTMASS 402.110338308 |
| − | AVERAGEMASS 402.39612 | + | AVERAGEMASS 402.39612 |
| − | SMILES c(c12)c(O4)c(C(CC(c(c5)ccc(c5)O)4)=O)c(c1C(c(c3)cccc3)CC(=O)O2)O | + | SMILES c(c12)c(O4)c(C(CC(c(c5)ccc(c5)O)4)=O)c(c1C(c(c3)cccc3)CC(=O)O2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.8045 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8045 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0893 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3756 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3396 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0539 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0534 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3387 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6823 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3970 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1112 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1107 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3960 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6818 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3400 -0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0889 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8011 2.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2334 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2334 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8011 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2337 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8047 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8047 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 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
4 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
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 3 1 0 0 0 0
21 24 2 0 0 0 0
23 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
S SKP 8
ID FL2FAANN0001
KNApSAcK_ID C00014282
NAME Calomelanol H;3,4,7,8-Tetrahydro-5-hydroxy-8-(4-hydroxyphenyl)-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
CAS_RN 143228-45-9
FORMULA C24H18O6
EXACTMASS 402.110338308
AVERAGEMASS 402.39612
SMILES c(c12)c(O4)c(C(CC(c(c5)ccc(c5)O)4)=O)c(c1C(c(c3)cccc3)CC(=O)O2)O
M END
