Mol:FL2FAANP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5628 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5628 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0419 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0419 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5210 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5210 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5210 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5210 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0419 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0419 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5628 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5628 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0002 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0002 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5207 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5207 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5207 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5207 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0002 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0002 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0411 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0411 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0002 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0002 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5755 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5755 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1098 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1098 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1098 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1098 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5755 0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5755 0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0411 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0411 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0837 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0837 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0419 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0419 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5623 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5623 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6442 0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6442 0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1098 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1098 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5755 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5755 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0837 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0837 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2431 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2431 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6442 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6442 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0419 -2.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0419 -2.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1098 1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1098 1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6421 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6421 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5775 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5775 2.2890 0.0000 C 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 16 1 0 0 0 0 | + | 23 16 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 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 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 22 28 2 0 0 0 0 | + | 22 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0005 | + | ID FL2FAANP0005 |
| − | KNApSAcK_ID C00008461 | + | KNApSAcK_ID C00008461 |
| − | NAME Euchrenone a2 | + | NAME Euchrenone a2 |
| − | CAS_RN 116310-62-4 | + | CAS_RN 116310-62-4 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(C=1)(Oc(c4)c(c(O2)c(c4O)C(CC(c(c3)cc(c(c3)O)CC=C(C)C)2)=O)C1)(C)C | + | SMILES C(C=1)(Oc(c4)c(c(O2)c(c4O)C(CC(c(c3)cc(c(c3)O)CC=C(C)C)2)=O)C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.5628 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5628 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0002 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5207 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5207 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0002 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0002 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1098 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1098 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0837 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5623 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6442 0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1098 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0837 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2431 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6442 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0419 -2.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1098 1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6421 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5775 2.2890 0.0000 C 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 0 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
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
15 21 1 0 0 0 0
22 23 1 0 0 0 0
23 16 1 0 0 0 0
20 24 1 0 0 0 0
24 18 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
2 27 1 0 0 0 0
22 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2FAANP0005
KNApSAcK_ID C00008461
NAME Euchrenone a2
CAS_RN 116310-62-4
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(C=1)(Oc(c4)c(c(O2)c(c4O)C(CC(c(c3)cc(c(c3)O)CC=C(C)C)2)=O)C1)(C)C
M END
