Mol:FL2FACNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9991 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9991 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9991 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9991 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8865 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8865 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8865 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8865 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3302 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3302 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2261 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2261 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2261 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2261 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3302 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3302 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7822 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7822 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3491 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3491 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3491 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3491 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7822 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7822 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3302 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3302 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5554 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5554 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3491 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3491 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5554 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5554 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5552 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5552 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNM0001 | + | ID FL2FACNM0001 |
| − | KNApSAcK_ID C00008352 | + | KNApSAcK_ID C00008352 |
| − | NAME Cyrtominetin | + | NAME Cyrtominetin |
| − | CAS_RN 95272-99-4 | + | CAS_RN 95272-99-4 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES Oc(c3)c(O)cc(c3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 | + | SMILES Oc(c3)c(O)cc(c3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9991 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9991 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8865 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8865 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3302 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3302 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7822 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3491 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3491 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7822 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3302 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5554 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3491 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5554 1.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5552 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
19 1 1 0 0 0 0
15 20 1 0 0 0 0
21 14 1 0 0 0 0
2 22 1 0 0 0 0
6 23 1 0 0 0 0
S SKP 8
ID FL2FACNM0001
KNApSAcK_ID C00008352
NAME Cyrtominetin
CAS_RN 95272-99-4
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES Oc(c3)c(O)cc(c3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1
M END
