Mol:FL4DALNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1399 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1399 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6190 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6190 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0982 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0982 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0982 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0982 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6190 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6190 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1399 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1399 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4227 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4227 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9436 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9436 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9436 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9436 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4227 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4227 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4640 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4227 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4227 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9983 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9983 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5327 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5327 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5327 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5327 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9983 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9983 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4640 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4640 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0662 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0662 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6190 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6190 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7119 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7119 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0655 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0655 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7119 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7119 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7757 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7757 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0436 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0436 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0662 0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0662 0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9305 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9305 1.3640 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 1 0 0 0 | + | 9 11 1 1 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 22 24 1 6 0 0 0 | + | 22 24 1 6 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNF0002 | + | ID FL4DALNF0002 |
| − | KNApSAcK_ID C00008626 | + | KNApSAcK_ID C00008626 |
| − | NAME Shuterone B | + | NAME Shuterone B |
| − | CAS_RN 105454-03-3 | + | CAS_RN 105454-03-3 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)O | + | SMILES c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)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/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.1399 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0982 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0982 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1399 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4227 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4227 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4227 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9983 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5327 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5327 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9983 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4640 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0662 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7119 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0655 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7119 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7757 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0436 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0662 0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9305 1.3640 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 1 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
8 18 1 1 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 6 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
17 27 1 0 0 0 0
S SKP 8
ID FL4DALNF0002
KNApSAcK_ID C00008626
NAME Shuterone B
CAS_RN 105454-03-3
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c1O)c(O)ccc1C(O2)C(C(c(c(O)3)c2cc(O4)c3CC4C(C)=C)=O)O
M END
