Mol:FL5FAANN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7058 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7058 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1495 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5932 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5932 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5932 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5932 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1495 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0369 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0369 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5194 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5194 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5194 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5194 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0369 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0369 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0369 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0369 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0755 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0755 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6424 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6424 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2094 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2094 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2094 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2094 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6424 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6424 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0755 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0755 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0755 -1.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0755 -1.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1495 -1.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 -1.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1495 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1495 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7058 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7058 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2622 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2622 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2622 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2622 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7762 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7762 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5935 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5935 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0445 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0445 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5045 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5045 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.0445 1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0445 1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5935 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5935 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7762 0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7762 0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 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 |
| − | 22 31 2 0 0 0 0 | + | 22 31 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANN0001 | + | ID FL5FAANN0001 |
| − | KNApSAcK_ID C00005078 | + | KNApSAcK_ID C00005078 |
| − | NAME Calomelanol D;(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione | + | NAME Calomelanol D;(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione |
| − | CAS_RN 141897-14-5 | + | CAS_RN 141897-14-5 |
| − | FORMULA C24H16O7 | + | FORMULA C24H16O7 |
| − | EXACTMASS 416.089602866 | + | EXACTMASS 416.089602866 |
| − | AVERAGEMASS 416.37964 | + | AVERAGEMASS 416.37964 |
| − | SMILES O=C(c25)C(=C(Oc2c(c(cc5O)3)C(c(c4)cccc4)CC(=O)O3)c(c1)ccc(c1)O)O | + | SMILES O=C(c25)C(=C(Oc2c(c(cc5O)3)C(c(c4)cccc4)CC(=O)O3)c(c1)ccc(c1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.7058 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5932 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5194 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5194 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0755 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6424 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6424 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0755 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0755 -1.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 -1.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1495 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7058 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7762 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5935 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5045 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5045 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0445 1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5935 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7762 0.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 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 1 1 0 0 0 0
15 24 1 0 0 0 0
20 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
22 31 2 0 0 0 0
S SKP 8
ID FL5FAANN0001
KNApSAcK_ID C00005078
NAME Calomelanol D;(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione
CAS_RN 141897-14-5
FORMULA C24H16O7
EXACTMASS 416.089602866
AVERAGEMASS 416.37964
SMILES O=C(c25)C(=C(Oc2c(c(cc5O)3)C(c(c4)cccc4)CC(=O)O3)c(c1)ccc(c1)O)O
M END
