Mol:FLNAQUNI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5870 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5870 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5254 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5254 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5254 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5254 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1022 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1022 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6789 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6789 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6789 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6789 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1022 0.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1022 0.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5870 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5870 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0307 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0307 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1022 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1022 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5492 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5492 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5492 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5492 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1022 -2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1022 -2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6551 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6551 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6551 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6551 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 0.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 0.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0284 -1.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0284 -1.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1430 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1430 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6992 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6992 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1430 -1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1430 -1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2552 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2552 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6992 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6992 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2552 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2552 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1431 0.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1431 0.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5511 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5511 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5511 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5511 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0810 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0810 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0501 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0501 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0810 2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0810 2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6097 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6097 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0501 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0501 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6312 1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6312 1.5422 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 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 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 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 2 0 0 0 0 | + | 1 25 2 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | 31 35 1 0 0 0 0 | + | 31 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAQUNI0001 | + | ID FLNAQUNI0001 |
| − | KNApSAcK_ID C00010251 | + | KNApSAcK_ID C00010251 |
| − | NAME Calofloride | + | NAME Calofloride |
| − | CAS_RN 88640-45-3 | + | CAS_RN 88640-45-3 |
| − | FORMULA C30H36O5 | + | FORMULA C30H36O5 |
| − | EXACTMASS 476.256274262 | + | EXACTMASS 476.256274262 |
| − | AVERAGEMASS 476.60384000000005 | + | AVERAGEMASS 476.60384000000005 |
| − | SMILES C(C)(C)=CCC(C(=O)3)(C(=C(C(O)=C3C(C(C)CC)=O)1)OC(=O)CC(c(c2)cccc2)1)CC=C(C)C | + | SMILES C(C)(C)=CCC(C(=O)3)(C(=C(C(O)=C3C(C(C)CC)=O)1)OC(=O)CC(c(c2)cccc2)1)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-0.5870 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5254 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5254 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1022 -0.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6789 -0.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6789 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1022 0.7256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5870 -0.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0307 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1022 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1022 -2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6551 -2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6551 -1.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 0.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0284 -1.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2552 -0.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6992 0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2552 -1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1431 0.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5511 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5511 1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0810 1.9320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0501 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0810 2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6097 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0501 2.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6312 1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 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
10 18 1 0 0 0 0
9 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 2 0 0 0 0
2 26 1 0 0 0 0
2 27 1 0 0 0 0
26 28 1 0 0 0 0
27 29 1 0 0 0 0
28 30 2 0 0 0 0
29 31 2 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
31 34 1 0 0 0 0
31 35 1 0 0 0 0
S SKP 8
ID FLNAQUNI0001
KNApSAcK_ID C00010251
NAME Calofloride
CAS_RN 88640-45-3
FORMULA C30H36O5
EXACTMASS 476.256274262
AVERAGEMASS 476.60384000000005
SMILES C(C)(C)=CCC(C(=O)3)(C(=C(C(O)=C3C(C(C)CC)=O)1)OC(=O)CC(c(c2)cccc2)1)CC=C(C)C
M END
