Mol:057a FLIF
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(Redirected from Mol:057aFLIF)
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-2.1617 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1617 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7328 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7328 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 -0.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6961 0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6961 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4102 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4102 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 -1.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 -0.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0183 -1.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8762 1.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7012 -1.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 2.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1615 2.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 -2.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4106 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1718 0.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8886 -2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7012 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6961 1.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6961 -0.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8762 2.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2887 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 2.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
4 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 5 1 0
8 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 11 2 0
1 2 2 0
7 17 2 0
1 18 1 0
14 19 1 0
6 20 1 0
20 21 2 0
13 22 1 0
9 23 1 0
23 24 1 0
24 16 1 0
22 25 1 0
19 26 1 0
9 27 1 1
8 28 1 6
18 29 1 0
21 29 1 0
29 30 1 0
29 31 1 0
S SKP 5
ID 057aFLIF
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES COc(c5)c(OC)cc(c54)C(O)(C(=O)1)C([H])(CO4)Oc(c32)c(ccc(OC(C)(C)C=C3)2)1
M END
