Mol:FL4DAANC0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8988 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1430 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1430 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1430 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1430 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8988 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1848 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1848 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1848 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1848 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7208 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7208 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3342 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3342 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4055 0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4055 0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4191 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4191 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9395 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9395 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9395 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9395 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4047 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4047 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4047 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4047 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3342 0.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3342 0.3347 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANC0002 | + | ID FL4DAANC0002 |
| − | KNApSAcK_ID C00008657 | + | KNApSAcK_ID C00008657 |
| − | NAME Gericudranin E | + | NAME Gericudranin E |
| − | CAS_RN 172104-07-3 | + | CAS_RN 172104-07-3 |
| − | FORMULA C22H18O7 | + | FORMULA C22H18O7 |
| − | EXACTMASS 394.10525293 | + | EXACTMASS 394.10525293 |
| − | AVERAGEMASS 394.37412000000006 | + | AVERAGEMASS 394.37412000000006 |
| − | SMILES c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(C(c(c3)ccc(c3)O)2)O)=O)O | + | SMILES c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(C(c(c3)ccc(c3)O)2)O)=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/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.8988 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 -1.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 1.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 0.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3342 0.3347 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
S SKP 8
ID FL4DAANC0002
KNApSAcK_ID C00008657
NAME Gericudranin E
CAS_RN 172104-07-3
FORMULA C22H18O7
EXACTMASS 394.10525293
AVERAGEMASS 394.37412000000006
SMILES c(c4)c(ccc4O)Cc(c1O)c(cc(O2)c1C(C(C(c(c3)ccc(c3)O)2)O)=O)O
M END
