Mol:FL2F1ANI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9629 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5192 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5192 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9522 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9522 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9522 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9522 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3866 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3866 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5178 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5178 2.3859 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANI0004 | + | ID FL2F1ANI0004 |
| − | KNApSAcK_ID C00008201 | + | KNApSAcK_ID C00008201 |
| − | NAME Abyssinone II | + | NAME Abyssinone II |
| − | CAS_RN 77263-08-2 | + | CAS_RN 77263-08-2 |
| − | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
| − | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
| − | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
| − | SMILES c(O)(c3)ccc(c32)C(=O)CC(O2)c(c1)cc(c(O)c1)CC=C(C)C | + | SMILES c(O)(c3)ccc(c32)C(=O)CC(O2)c(c1)cc(c(O)c1)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.9629 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5178 2.3859 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
S SKP 8
ID FL2F1ANI0004
KNApSAcK_ID C00008201
NAME Abyssinone II
CAS_RN 77263-08-2
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES c(O)(c3)ccc(c32)C(=O)CC(O2)c(c1)cc(c(O)c1)CC=C(C)C
M END
