Mol:FLIE1CNF0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
24 29 0 0 0 0 0 0 0 0999 V2000
-2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3449 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 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 2 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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
9 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
S SKP 8
ID FLIE1CNF0001
KNApSAcK_ID C00009773
NAME Erosnin;Erosnine;Erosinin
CAS_RN 3736-83-2
FORMULA C18H8O6
EXACTMASS 320.032087988
AVERAGEMASS 320.25252
SMILES O(C3=O)c(c2c(o4)c3c(c6)c(cc(c65)OCO5)4)cc(c(c2)1)occ1
M END
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