Mol:FL2FA9NN0001
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 |
| − | -1.4596 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7453 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7453 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7444 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7444 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0302 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0302 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0306 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0306 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6845 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6845 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3988 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3988 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3983 1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3983 1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6836 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6836 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0272 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0272 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7419 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7419 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4561 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4561 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4557 2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4557 2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7410 2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7410 2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0267 2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0267 2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6849 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6849 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7439 -0.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7439 -0.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8885 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8885 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8885 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8885 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4561 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4561 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8888 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8888 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 -2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 -2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4598 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4598 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4598 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4598 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1743 -2.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1743 -2.9411 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 |
| − | 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NN0001 | + | ID FL2FA9NN0001 |
| − | KNApSAcK_ID C00014283 | + | KNApSAcK_ID C00014283 |
| − | NAME Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione | + | NAME Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione |
| − | CAS_RN 143228-46-0 | + | CAS_RN 143228-46-0 |
| − | FORMULA C24H18O6 | + | FORMULA C24H18O6 |
| − | EXACTMASS 402.110338308 | + | EXACTMASS 402.110338308 |
| − | AVERAGEMASS 402.39612 | + | AVERAGEMASS 402.39612 |
| − | SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(=O)CC(c(c2)cccc2)O1 | + | SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(=O)CC(c(c2)cccc2)O1 |
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
-1.4596 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7453 1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7444 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0302 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0306 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6845 0.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3988 0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3983 1.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 1.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0272 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7419 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4561 1.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4557 2.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7410 2.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0267 2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 -0.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7439 -0.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 1.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8885 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4561 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8888 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -2.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 -2.9411 0.0000 O 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
27 30 1 0 0 0 0
S SKP 8
ID FL2FA9NN0001
KNApSAcK_ID C00014283
NAME Calomelanol I;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
CAS_RN 143228-46-0
FORMULA C24H18O6
EXACTMASS 402.110338308
AVERAGEMASS 402.39612
SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(=O)CC(c(c2)cccc2)O1
M END
