Mol:FL3FADNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9748 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9748 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9748 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9748 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4744 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4744 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9739 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9739 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9739 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9739 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4744 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4744 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4735 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4735 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0270 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0270 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0270 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0270 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4735 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4735 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5271 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5271 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0575 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0575 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0575 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0575 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5271 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5271 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4744 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4744 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4749 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4749 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4735 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4735 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1177 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1177 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4538 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4538 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3198 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3198 -0.5928 0.0000 C 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 |
| − | 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.7605 0.201 | + | M SVB 1 23 1.7605 0.201 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FADNS0001 | + | ID FL3FADNS0001 |
| − | KNApSAcK_ID C00001029 | + | KNApSAcK_ID C00001029 |
| − | NAME Chrysoeriol | + | NAME Chrysoeriol |
| − | CAS_RN 491-71-4 | + | CAS_RN 491-71-4 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES COc(c(O)3)cc(cc3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c(O)3)cc(cc3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.9748 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9748 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9739 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9739 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4735 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0270 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4735 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5271 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5271 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4744 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4735 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1177 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4538 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3198 -0.5928 0.0000 C 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
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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.7605 0.201
S SKP 8
ID FL3FADNS0001
KNApSAcK_ID C00001029
NAME Chrysoeriol
CAS_RN 491-71-4
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES COc(c(O)3)cc(cc3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
