Mol:FL3FA9NF0004
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 |
| − | -0.8723 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8723 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8723 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8723 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5868 -0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5868 -0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5868 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5868 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1578 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1578 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5566 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5566 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5566 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5566 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1579 -0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1579 -0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4854 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4854 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1999 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1999 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9144 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9144 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9144 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9144 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1999 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1999 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4854 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4854 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1578 -2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1578 -2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3013 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3013 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3013 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3013 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5868 -2.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5868 -2.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3013 -3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3013 -3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5788 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5788 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9144 -0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9144 -0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8840 1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8840 1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2478 0.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2478 0.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2643 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2643 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8708 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8708 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6972 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6972 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2643 2.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2643 2.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 3.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 3.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 2.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 2.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4326 2.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4326 2.3616 0.0000 C 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 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 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 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NF0004 | + | ID FL3FA9NF0004 |
| − | KNApSAcK_ID C00013475 | + | KNApSAcK_ID C00013475 |
| − | NAME Tephrorianin | + | NAME Tephrorianin |
| − | CAS_RN 204514-57-8 | + | CAS_RN 204514-57-8 |
| − | FORMULA C24H20O7 | + | FORMULA C24H20O7 |
| − | EXACTMASS 420.120902994 | + | EXACTMASS 420.120902994 |
| − | AVERAGEMASS 420.41139999999996 | + | AVERAGEMASS 420.41139999999996 |
| − | SMILES C(C(OC(C)=O)(C)C)=c(c(=O)1)c(c42)c(cc(c2C(=O)C=C(O4)c(c3)cccc3)OC)o1 | + | SMILES C(C(OC(C)=O)(C)C)=c(c(=O)1)c(c42)c(cc(c2C(=O)C=C(O4)c(c3)cccc3)OC)o1 |
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
-0.8723 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8723 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 -0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1578 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1579 -0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4854 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4854 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1578 -2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3013 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3013 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 -2.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3013 -3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 -0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8840 1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2478 0.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2643 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8708 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6972 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2643 2.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 3.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 2.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4326 2.3616 0.0000 C 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
21 23 2 0 0 0 0
20 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL3FA9NF0004
KNApSAcK_ID C00013475
NAME Tephrorianin
CAS_RN 204514-57-8
FORMULA C24H20O7
EXACTMASS 420.120902994
AVERAGEMASS 420.41139999999996
SMILES C(C(OC(C)=O)(C)C)=c(c(=O)1)c(c42)c(cc(c2C(=O)C=C(O4)c(c3)cccc3)OC)o1
M END
