Mol:FL2FACNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0238 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0238 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0238 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0238 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0888 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0888 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6451 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6451 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2014 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2014 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6451 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6451 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7575 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7575 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3245 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3245 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8915 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8915 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8915 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8915 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3245 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3245 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7575 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7575 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6451 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6451 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5325 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5799 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5799 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3245 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3245 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4583 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4583 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5799 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5799 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1360 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1360 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6909 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6909 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2458 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2458 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6909 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6909 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7995 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7995 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3532 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3532 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9058 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9058 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4583 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4583 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9058 -1.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9058 -1.7753 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 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 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 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 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0006 | + | ID FL2FACNI0006 |
| − | KNApSAcK_ID C00008326 | + | KNApSAcK_ID C00008326 |
| − | NAME Diplacone | + | NAME Diplacone |
| − | CAS_RN 73676-38-7 | + | CAS_RN 73676-38-7 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c3)(O)c(cc(c3)C(C2)Oc(c(C(=O)2)1)cc(c(c(O)1)CC=C(C)CCC=C(C)C)O)O | + | SMILES c(c3)(O)c(cc(c3)C(C2)Oc(c(C(=O)2)1)cc(c(c(O)1)CC=C(C)CCC=C(C)C)O)O |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.0238 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0888 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2014 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2014 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7575 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6451 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5325 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5799 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3245 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4583 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5799 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1360 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2458 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3532 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9058 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4583 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9058 -1.7753 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
2 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
24 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FACNI0006
KNApSAcK_ID C00008326
NAME Diplacone
CAS_RN 73676-38-7
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3)(O)c(cc(c3)C(C2)Oc(c(C(=O)2)1)cc(c(c(O)1)CC=C(C)CCC=C(C)C)O)O
M END
