Mol:FL4DACNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0427 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0427 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4781 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4781 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9990 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9990 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9990 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9990 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4781 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4781 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0427 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0427 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0408 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0408 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0408 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0408 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5199 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5199 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4781 -1.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4781 -1.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6249 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6249 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1468 -0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1468 -0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6687 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6687 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6687 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6687 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1468 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1468 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6249 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6249 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5768 -1.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5768 -1.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1903 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1903 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5495 0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5495 0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5631 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5631 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0835 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0835 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1219 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1219 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6027 -1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6027 -1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6399 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6399 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1567 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1567 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6735 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6735 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1903 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1903 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6735 -1.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6735 -1.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1468 1.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1468 1.6733 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 0 0 0 0 | + | 9 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 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 0 0 0 0 | + | 8 19 1 0 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 |
| − | 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 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNI0003 | + | ID FL4DACNI0003 |
| − | KNApSAcK_ID C00008654 | + | KNApSAcK_ID C00008654 |
| − | NAME Diplacol | + | NAME Diplacol |
| − | CAS_RN 76556-05-3 | + | CAS_RN 76556-05-3 |
| − | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
| − | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
| − | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
| − | SMILES c(c(C(C(O)3)Oc(c(C(=O)3)2)cc(c(CC=C(C)CCC=C(C)C)c2O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(C(O)3)Oc(c(C(=O)3)2)cc(c(CC=C(C)CCC=C(C)C)c2O)O)1)cc(c(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-0.0427 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9990 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0427 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 -0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5199 -1.5963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 -1.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6249 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1468 -0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1468 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6249 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 -1.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1903 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5495 0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5631 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0835 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -1.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1219 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6399 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1567 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6735 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1903 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6735 -1.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1468 1.6733 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 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 0 0 0 0
16 20 1 0 0 0 0
6 21 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
22 1 1 0 0 0 0
17 32 1 0 0 0 0
S SKP 8
ID FL4DACNI0003
KNApSAcK_ID C00008654
NAME Diplacol
CAS_RN 76556-05-3
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES c(c(C(C(O)3)Oc(c(C(=O)3)2)cc(c(CC=C(C)CCC=C(C)C)c2O)O)1)cc(c(c1)O)O
M END
