Mol:FL4DACNC0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8988 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1430 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1430 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1430 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1430 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8988 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1848 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1848 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1848 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1848 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 -1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 -1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7208 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7208 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3342 0.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3342 0.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4055 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4055 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4191 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4191 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9395 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9395 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9395 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9395 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4047 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4047 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4047 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4047 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3342 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3342 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 1.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 1.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1425 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1425 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6480 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6480 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1535 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1535 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1535 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1535 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6480 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6480 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1425 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1425 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6584 1.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6584 1.7900 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 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNC0003 | + | ID FL4DACNC0003 |
| − | KNApSAcK_ID C00008661 | + | KNApSAcK_ID C00008661 |
| − | NAME Gericudranin A | + | NAME Gericudranin A |
| − | CAS_RN 169592-15-8 | + | CAS_RN 169592-15-8 |
| − | FORMULA C29H24O9 | + | FORMULA C29H24O9 |
| − | EXACTMASS 516.142032366 | + | EXACTMASS 516.142032366 |
| − | AVERAGEMASS 516.49546 | + | AVERAGEMASS 516.49546 |
| − | SMILES Oc(c1)c(O)ccc1C(C(O)2)Oc(c(Cc(c5)ccc(c5)O)4)c(c(c(c4O)Cc(c3)ccc(c3)O)O)C2=O | + | SMILES Oc(c1)c(O)ccc1C(C(O)2)Oc(c(Cc(c5)ccc(c5)O)4)c(c(c(c4O)Cc(c3)ccc(c3)O)O)C2=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/
38 42 0 0 0 0 0 0 0 0999 V2000
-0.8988 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 -0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 -1.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 0.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3342 -0.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 1.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1425 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6480 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1425 1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6584 1.7900 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
17 30 1 0 0 0 0
5 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 32 1 0 0 0 0
35 38 1 0 0 0 0
S SKP 8
ID FL4DACNC0003
KNApSAcK_ID C00008661
NAME Gericudranin A
CAS_RN 169592-15-8
FORMULA C29H24O9
EXACTMASS 516.142032366
AVERAGEMASS 516.49546
SMILES Oc(c1)c(O)ccc1C(C(O)2)Oc(c(Cc(c5)ccc(c5)O)4)c(c(c(c4O)Cc(c3)ccc(c3)O)O)C2=O
M END
