Mol:FL2F1ANI0004
From Metabolomics.JP
<pre>
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
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