Mol:FL2F1ANI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8113 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8113 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8113 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8113 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2550 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2550 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6987 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6987 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6987 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6987 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2550 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2550 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1424 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1424 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5861 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5861 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5861 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5861 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1424 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1424 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0300 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0300 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5370 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5370 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1039 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1039 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1039 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1039 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5370 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5370 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0300 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0300 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1424 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1424 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3676 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3676 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6708 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6708 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5370 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5370 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1038 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1038 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1038 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1038 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5382 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5382 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6708 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6708 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2364 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2364 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8020 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8020 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3676 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3676 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8020 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8020 -1.5379 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANI0005 | + | ID FL2F1ANI0005 |
| − | KNApSAcK_ID C00008202 | + | KNApSAcK_ID C00008202 |
| − | NAME Abyssinone IV | + | NAME Abyssinone IV |
| − | CAS_RN 77263-10-6 | + | CAS_RN 77263-10-6 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES Oc(c1)cc(O2)c(C(=O)CC2c(c3)cc(c(O)c(CC=C(C)C)3)CC=C(C)C)c1 | + | SMILES Oc(c1)cc(O2)c(C(=O)CC2c(c3)cc(c(O)c(CC=C(C)C)3)CC=C(C)C)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.8113 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8113 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2550 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6987 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6987 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2550 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5861 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5861 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3676 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5370 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5382 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2364 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3676 -0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 -1.5379 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
18 1 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL2F1ANI0005
KNApSAcK_ID C00008202
NAME Abyssinone IV
CAS_RN 77263-10-6
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c1)cc(O2)c(C(=O)CC2c(c3)cc(c(O)c(CC=C(C)C)3)CC=C(C)C)c1
M END
