Mol:FL4DPTNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8429 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8429 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7708 -1.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7708 -1.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2864 -0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 -0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3632 1.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3632 1.0175 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DPTNS0001 | + | ID FL4DPTNS0001 |
| − | KNApSAcK_ID C00008601 | + | KNApSAcK_ID C00008601 |
| − | NAME Peltogynone | + | NAME Peltogynone |
| − | CAS_RN 38279-52-6 | + | CAS_RN 38279-52-6 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)C1c(c2)c(C3)cc(O)c(O)2 | + | SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)C1c(c2)c(C3)cc(O)c(O)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 -1.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 -0.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.0175 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 6 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
13 19 1 0 0 0 0
19 18 1 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 8
ID FL4DPTNS0001
KNApSAcK_ID C00008601
NAME Peltogynone
CAS_RN 38279-52-6
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)C1c(c2)c(C3)cc(O)c(O)2
M END
