Mol:FL5FAANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8175 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8175 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2612 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2612 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2612 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2612 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8175 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8175 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9745 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9745 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5415 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5415 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5415 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5415 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9745 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9745 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4075 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4075 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9301 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9301 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4864 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4864 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4864 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4864 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9301 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9301 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0425 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0425 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4864 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4864 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8175 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8175 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0425 1.4163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0425 1.4163 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 |
| − | 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 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANP0001 | + | ID FL5FAANP0001 |
| − | KNApSAcK_ID C00005076 | + | KNApSAcK_ID C00005076 |
| − | NAME 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone | + | NAME 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone |
| − | CAS_RN 108803-53-8 | + | CAS_RN 108803-53-8 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(c1c2O)OC(C=C1)(C)C | + | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(c1c2O)OC(C=C1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3738 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8175 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8175 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2951 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8514 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8514 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2951 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2951 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4075 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9745 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9745 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4075 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4075 -0.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9301 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9301 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0425 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8175 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0425 1.4163 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
3 25 1 0 0 0 0
15 26 1 0 0 0 0
S SKP 8
ID FL5FAANP0001
KNApSAcK_ID C00005076
NAME 3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone
CAS_RN 108803-53-8
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)2)cc(c1c2O)OC(C=C1)(C)C
M END
