Mol:FL2FABNN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0949 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0949 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3807 1.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3807 1.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0949 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0949 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3797 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3797 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6655 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6660 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6660 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0492 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0492 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7634 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7634 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7630 1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7630 1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0483 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0483 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3919 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3919 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1066 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1066 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8208 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8208 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8203 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8203 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1056 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1056 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3914 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3914 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0496 -0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0496 -0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3793 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3793 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5106 2.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5106 2.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0915 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0915 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8096 1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5239 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5239 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5239 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5239 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8096 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0915 1.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0915 1.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8096 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5241 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5241 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5241 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5241 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8096 -2.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 -2.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0952 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0952 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0952 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0952 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8096 -2.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8096 -2.9159 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 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 3 1 0 0 0 0 | + | 24 3 1 0 0 0 0 |
| − | 22 25 2 0 0 0 0 | + | 22 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 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 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNN0001 | + | ID FL2FABNN0001 |
| − | KNApSAcK_ID C00014281 | + | KNApSAcK_ID C00014281 |
| − | NAME Calomelanol G;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione | + | NAME Calomelanol G;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione |
| − | CAS_RN 143228-44-8 | + | CAS_RN 143228-44-8 |
| − | FORMULA C25H20O7 | + | FORMULA C25H20O7 |
| − | EXACTMASS 432.120902994 | + | EXACTMASS 432.120902994 |
| − | AVERAGEMASS 432.4221 | + | AVERAGEMASS 432.4221 |
| − | SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(CC(c(c2)ccc(c2)OC)O1)=O | + | SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(CC(c(c2)ccc(c2)OC)O1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-2.0949 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3807 1.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0949 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3797 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6660 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0492 0.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7634 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7630 1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0483 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1066 1.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8208 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8203 2.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1056 2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3914 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0496 -0.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3793 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5106 2.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0915 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 1.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5239 1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5239 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0915 1.6405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5241 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5241 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 -2.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0952 -1.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0952 -1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8096 -2.9159 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
14 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 3 1 0 0 0 0
22 25 2 0 0 0 0
24 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 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
S SKP 8
ID FL2FABNN0001
KNApSAcK_ID C00014281
NAME Calomelanol G;3,4,7,8-Tetrahydro-5-hydroxy-4-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
CAS_RN 143228-44-8
FORMULA C25H20O7
EXACTMASS 432.120902994
AVERAGEMASS 432.4221
SMILES C(c(c5)ccc(c5)O)(C4)c(c3OC4=O)c(O)c(c(c3)1)C(CC(c(c2)ccc(c2)OC)O1)=O
M END
