Mol:FL3FADNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6655 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0944 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0944 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7635 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7635 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1924 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1924 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0490 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0490 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6214 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6214 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3358 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3358 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3799 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3799 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5234 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5234 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3358 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3358 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8055 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8055 0.9815 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 6 1 0 0 0 0 | + | 21 6 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 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 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 5 1 0 0 0 0 | + | 25 5 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADNP0003 | + | ID FL3FADNP0003 |
| − | KNApSAcK_ID C00013438 | + | KNApSAcK_ID C00013438 |
| − | NAME 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 461677-63-4 | + | CAS_RN 461677-63-4 |
| − | FORMULA C21H18O6 | + | FORMULA C21H18O6 |
| − | EXACTMASS 366.110338308 | + | EXACTMASS 366.110338308 |
| − | AVERAGEMASS 366.36402 | + | AVERAGEMASS 366.36402 |
| − | SMILES c(c1)(C(=C4)Oc(c(C(=O)4)3)cc(c2c(O)3)OC(C=C2)(C)C)cc(c(O)c1)OC | + | SMILES c(c1)(C(=C4)Oc(c(C(=O)4)3)cc(c2c(O)3)OC(C=C2)(C)C)cc(c(O)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.6655 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0944 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7635 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9069 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4779 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0490 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6214 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5234 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8055 0.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
1 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 2 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
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
21 6 1 0 0 0 0
4 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 5 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
S SKP 8
ID FL3FADNP0003
KNApSAcK_ID C00013438
NAME 5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 461677-63-4
FORMULA C21H18O6
EXACTMASS 366.110338308
AVERAGEMASS 366.36402
SMILES c(c1)(C(=C4)Oc(c(C(=O)4)3)cc(c2c(O)3)OC(C=C2)(C)C)cc(c(O)c1)OC
M END
