Mol:FL2FA9NN0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4596 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7453 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7453 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7444 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7444 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0302 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0302 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0306 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0306 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6845 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6845 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3988 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3988 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3983 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3983 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6836 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6836 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0272 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0272 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7419 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7419 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4561 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4561 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4557 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4557 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7410 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7410 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0267 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0267 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6849 -0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6849 -0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7439 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7439 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8885 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8885 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4561 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4561 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8888 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8888 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4598 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4598 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4598 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4598 -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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 3 1 0 0 0 0 | + | 22 3 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NN0002 | + | ID FL2FA9NN0002 |
| − | KNApSAcK_ID C00014284 | + | KNApSAcK_ID C00014284 |
| − | NAME Calomelanol J;3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione | + | NAME Calomelanol J;3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione |
| − | CAS_RN 143291-31-0 | + | CAS_RN 143291-31-0 |
| − | FORMULA C24H18O5 | + | FORMULA C24H18O5 |
| − | EXACTMASS 386.115423686 | + | EXACTMASS 386.115423686 |
| − | AVERAGEMASS 386.39672 | + | AVERAGEMASS 386.39672 |
| − | SMILES c(c34)c(c(c(O)c3C(=O)CC(c(c5)cccc5)O4)1)OC(=O)CC1c(c2)cccc2 | + | SMILES c(c34)c(c(c(O)c3C(=O)CC(c(c5)cccc5)O4)1)OC(=O)CC1c(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.4596 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7453 1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0302 0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0306 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6845 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3988 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3983 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0272 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7419 0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4561 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7410 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0267 2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 -0.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7439 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 1.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4561 1.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -0.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 3 1 0 0 0 0
20 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
S SKP 8
ID FL2FA9NN0002
KNApSAcK_ID C00014284
NAME Calomelanol J;3,4,7,8-Tetrahydro-5-hydroxy-4,8-diphenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
CAS_RN 143291-31-0
FORMULA C24H18O5
EXACTMASS 386.115423686
AVERAGEMASS 386.39672
SMILES c(c34)c(c(c(O)c3C(=O)CC(c(c5)cccc5)O4)1)OC(=O)CC1c(c2)cccc2
M END
