Mol:FL4DACNC0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3779 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3779 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8571 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8571 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3362 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3362 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3362 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3362 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8571 0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8571 0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3779 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3779 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1847 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1847 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7056 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7056 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7056 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7056 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1847 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1847 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1847 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1847 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8571 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8571 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2897 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2897 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8116 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8116 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3335 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3335 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3335 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3335 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8116 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8116 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2897 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2897 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2417 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2417 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8551 0.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8551 0.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8847 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8847 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8116 1.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8116 1.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8571 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8571 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3774 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3774 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3774 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3774 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8703 1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8703 1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3633 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3633 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3633 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3633 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8703 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8703 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8551 1.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8551 1.7788 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 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 5 23 1 0 0 0 0 | + | 5 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNC0002 | + | ID FL4DACNC0002 |
| − | KNApSAcK_ID C00008660 | + | KNApSAcK_ID C00008660 |
| − | NAME Gericudranin B | + | NAME Gericudranin B |
| − | CAS_RN 169592-16-9 | + | CAS_RN 169592-16-9 |
| − | FORMULA C22H18O8 | + | FORMULA C22H18O8 |
| − | EXACTMASS 410.100167552 | + | EXACTMASS 410.100167552 |
| − | AVERAGEMASS 410.37352000000004 | + | AVERAGEMASS 410.37352000000004 |
| − | SMILES C(C3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O | + | SMILES C(C3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.3779 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3362 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3362 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3779 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1847 -1.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7056 -0.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7056 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1847 0.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1847 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 -1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8116 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3335 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8116 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2897 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 0.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8847 0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8116 1.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3774 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3774 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8703 1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3633 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3633 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8703 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8551 1.7788 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
17 22 1 0 0 0 0
5 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL4DACNC0002
KNApSAcK_ID C00008660
NAME Gericudranin B
CAS_RN 169592-16-9
FORMULA C22H18O8
EXACTMASS 410.100167552
AVERAGEMASS 410.37352000000004
SMILES C(C3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O
M END
