Mol:FLIAACNP0006
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.9610 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9610 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4047 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4047 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8484 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8484 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8484 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4047 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4047 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2642 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2642 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2642 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8203 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8203 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8203 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8203 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4151 -1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4151 -1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0099 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0099 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0099 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0099 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4151 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4151 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2921 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2921 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5171 0.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5171 0.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.0668 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0668 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.6631 -0.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6631 -0.5383 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 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 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 15 1 0 0 0 0 | + | 27 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAACNP0006 | + | ID FLIAACNP0006 |
| − | KNApSAcK_ID C00009907 | + | KNApSAcK_ID C00009907 |
| − | NAME 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone | + | NAME 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone |
| − | CAS_RN 106009-67-0 | + | CAS_RN 106009-67-0 |
| − | FORMULA C21H16O6 | + | FORMULA C21H16O6 |
| − | EXACTMASS 364.094688244 | + | EXACTMASS 364.094688244 |
| − | AVERAGEMASS 364.34814 | + | AVERAGEMASS 364.34814 |
| − | SMILES c(c13)(OC=C(c(c5)cc(O4)c(c5)OC4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O | + | SMILES c(c13)(OC=C(c(c5)cc(O4)c(c5)OC4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O |
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 31 0 0 0 0 0 0 0 0999 V2000
-1.9610 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8484 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2642 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8203 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0099 -1.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0099 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2921 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 0.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 -1.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4047 1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9608 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5171 1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0668 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6631 -1.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0668 -1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6631 -0.5383 0.0000 O 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 15 1 0 0 0 0
S SKP 8
ID FLIAACNP0006
KNApSAcK_ID C00009907
NAME 5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
CAS_RN 106009-67-0
FORMULA C21H16O6
EXACTMASS 364.094688244
AVERAGEMASS 364.34814
SMILES c(c13)(OC=C(c(c5)cc(O4)c(c5)OC4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O
M END
