Mol:FL5F1CNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3706 -1.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3706 -1.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0714 0.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0714 0.9114 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 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1CNP0002 | + | ID FL5F1CNP0002 |
| − | KNApSAcK_ID C00005083 | + | KNApSAcK_ID C00005083 |
| − | NAME Macaflavone I | + | NAME Macaflavone I |
| − | CAS_RN 102848-03-3 | + | CAS_RN 102848-03-3 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(=C1)c(c4)c(c(CC=C(C)C)c(c42)OC(c(c3)cc(c(O)c3)O)=C(O)C2=O)OC(C)(C)1 | + | SMILES C(=C1)c(c4)c(c(CC=C(C)C)c(c42)OC(c(c3)cc(c(O)c3)O)=C(O)C2=O)OC(C)(C)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4107 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4107 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 -0.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8145 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2582 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 -0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 -0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5046 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 0.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 -1.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 -0.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5233 -1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 -1.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9368 0.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0714 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 0.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4105 1.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9666 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8544 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9376 1.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0714 0.9114 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
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
16 30 1 0 0 0 0
15 31 1 0 0 0 0
S SKP 8
ID FL5F1CNP0002
KNApSAcK_ID C00005083
NAME Macaflavone I
CAS_RN 102848-03-3
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(=C1)c(c4)c(c(CC=C(C)C)c(c42)OC(c(c3)cc(c(O)c3)O)=C(O)C2=O)OC(C)(C)1
M END
