Mol:FLIA3CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 27 0 0 0 0 0 0 0 0999 V2000 | + | 23 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0019 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0019 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0019 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0019 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4456 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4456 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8893 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8893 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8893 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8893 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4456 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4456 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3330 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3330 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2233 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2233 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2233 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2233 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3330 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3330 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7794 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7794 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7794 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7794 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3741 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3741 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9689 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9689 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9689 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9689 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3741 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3741 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3330 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3330 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5792 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5792 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2180 1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2180 1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4793 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4793 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5169 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5169 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2000 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2000 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4793 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4793 -1.2495 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 6 18 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 20 1 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA3CNS0001 | + | ID FLIA3CNS0001 |
| − | KNApSAcK_ID C00009403 | + | KNApSAcK_ID C00009403 |
| − | NAME Maximaisoflavone A | + | NAME Maximaisoflavone A |
| − | CAS_RN 59092-90-9 | + | CAS_RN 59092-90-9 |
| − | FORMULA C17H10O6 | + | FORMULA C17H10O6 |
| − | EXACTMASS 310.047738052 | + | EXACTMASS 310.047738052 |
| − | AVERAGEMASS 310.2577 | + | AVERAGEMASS 310.2577 |
| − | SMILES O=C(C=3c(c4)cc(O5)c(OC5)c4)c(c1)c(OC3)c(O2)c(OC2)c1 | + | SMILES O=C(C=3c(c4)cc(O5)c(OC5)c4)c(c1)c(OC3)c(O2)c(OC2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 27 0 0 0 0 0 0 0 0999 V2000
-2.0019 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4456 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4456 1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3330 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2233 0.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2233 0.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3330 1.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7794 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7794 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9689 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9689 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3741 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3330 -0.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5792 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4793 1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5169 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2000 -1.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4793 -1.2495 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
8 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
S SKP 8
ID FLIA3CNS0001
KNApSAcK_ID C00009403
NAME Maximaisoflavone A
CAS_RN 59092-90-9
FORMULA C17H10O6
EXACTMASS 310.047738052
AVERAGEMASS 310.2577
SMILES O=C(C=3c(c4)cc(O5)c(OC5)c4)c(c1)c(OC3)c(O2)c(OC2)c1
M END
