Mol:FL3FALNP0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6514 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6514 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6514 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6514 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0951 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5388 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5388 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5388 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5388 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0951 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0175 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5738 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5738 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5738 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5738 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0175 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0175 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0175 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1299 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6969 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6969 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2638 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2638 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2638 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2638 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6969 1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6969 1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1299 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1299 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0951 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0951 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0951 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6514 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6514 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2077 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2077 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2077 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2077 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8306 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8306 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6031 2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6031 2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8046 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8046 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8306 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8306 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5631 1.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5631 1.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1031 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1031 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0923 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0923 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6524 -1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6524 -1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6415 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6415 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2233 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2233 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1859 -1.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1859 -1.7892 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 25 15 1 0 0 0 0 | + | 25 15 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 28 8 1 0 0 0 0 | + | 28 8 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0013 | + | ID FL3FALNP0013 |
| − | KNApSAcK_ID C00004105 | + | KNApSAcK_ID C00004105 |
| − | NAME 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone;KB-2 | + | NAME 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone;KB-2 |
| − | CAS_RN 133740-64-4 | + | CAS_RN 133740-64-4 |
| − | FORMULA C25H26O8 | + | FORMULA C25H26O8 |
| − | EXACTMASS 454.162767808 | + | EXACTMASS 454.162767808 |
| − | AVERAGEMASS 454.46914 | + | AVERAGEMASS 454.46914 |
| − | SMILES Oc(c1)c(O)cc(O)c1C(O4)=C(C(=O)c(c43)c(cc(c32)OC(C=C2)(C)C)O)CCC(C)(C)O | + | SMILES Oc(c1)c(O)cc(O)c1C(O4)=C(C(=O)c(c43)c(cc(c32)OC(C=C2)(C)C)O)CCC(C)(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.6514 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6514 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5388 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5388 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 -0.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5738 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5738 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0175 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1299 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6969 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2638 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6969 1.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1299 1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0951 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6514 1.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2077 1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2077 0.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8306 1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6031 2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8046 1.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8306 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5631 1.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 -0.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0923 -1.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6524 -1.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6415 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2233 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 -1.7892 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
25 15 1 0 0 0 0
14 26 1 0 0 0 0
17 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
28 8 1 0 0 0 0
S SKP 8
ID FL3FALNP0013
KNApSAcK_ID C00004105
NAME 5,2',4',5'-Tetrahydroxy-3-(3-hydroxy-3-methylbutyl)-6'',6''-dimethylpyrano[2'',3'':7,8]flavone;KB-2
CAS_RN 133740-64-4
FORMULA C25H26O8
EXACTMASS 454.162767808
AVERAGEMASS 454.46914
SMILES Oc(c1)c(O)cc(O)c1C(O4)=C(C(=O)c(c43)c(cc(c32)OC(C=C2)(C)C)O)CCC(C)(C)O
M END
