Mol:FL3FACNN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.3697 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3697 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3697 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3697 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8517 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8517 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3338 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3338 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3338 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3338 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8517 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8517 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2978 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2978 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2978 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2978 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7133 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7133 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1553 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1553 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4027 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4027 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4027 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4027 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1553 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1553 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7133 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7133 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9590 -0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9590 -0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5153 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5153 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5153 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5153 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9590 0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9590 0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2515 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2515 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7994 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7994 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3472 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3472 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3472 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3472 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7994 1.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7994 1.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2515 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2515 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7220 1.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7220 1.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1611 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1611 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7477 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7477 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7220 -0.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7220 -0.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8158 -1.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8158 -1.7850 0.0000 O 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 |
| − | 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 19 21 1 1 0 0 0 | + | 19 21 1 1 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 18 28 1 6 0 0 0 | + | 18 28 1 6 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 7 32 2 0 0 0 0 | + | 7 32 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACNN0001 | + | ID FL3FACNN0001 |
| − | KNApSAcK_ID C00000673 | + | KNApSAcK_ID C00000673 |
| − | NAME Sinaticin | + | NAME Sinaticin |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C24H18O8 | + | FORMULA C24H18O8 |
| − | EXACTMASS 434.100167552 | + | EXACTMASS 434.100167552 |
| − | AVERAGEMASS 434.39492 | + | AVERAGEMASS 434.39492 |
| − | SMILES c(c(O)5)c(c(c4c5)C(=O)C=C(O4)c(c1)cc(O2)c(OC(c(c3)ccc(O)c3)C(CO)2)c1)O | + | SMILES c(c(O)5)c(c(c4c5)C(=O)C=C(O4)c(c1)cc(O2)c(OC(c(c3)ccc(O)c3)C(CO)2)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-3.3697 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3697 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8517 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8517 -0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -1.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2978 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2978 -0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -0.2278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7133 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1553 -0.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4027 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4027 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1553 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7133 0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9590 -0.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5153 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5153 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9590 0.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7994 0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3472 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3472 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7994 1.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 1.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7220 1.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1611 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7477 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7220 -0.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8517 -1.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -1.7850 0.0000 O 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
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
13 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
19 21 1 1 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
24 27 1 0 0 0 0
18 28 1 6 0 0 0
28 29 1 0 0 0 0
1 30 1 0 0 0 0
3 31 1 0 0 0 0
7 32 2 0 0 0 0
S SKP 8
ID FL3FACNN0001
KNApSAcK_ID C00000673
NAME Sinaticin
CAS_RN -
FORMULA C24H18O8
EXACTMASS 434.100167552
AVERAGEMASS 434.39492
SMILES c(c(O)5)c(c(c4c5)C(=O)C=C(O4)c(c1)cc(O2)c(OC(c(c3)ccc(O)c3)C(CO)2)c1)O
M END
