Mol:FLNF19NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5559 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7309 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 6 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 9 1 0 0 0 0
7 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
16 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 16 1 0 0 0 0
17 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
24 26 1 0 0 0 0
13 27 1 1 0 0 0
12 28 1 6 0 0 0
10 29 1 0 0 0 0
14 30 2 0 0 0 0
3 31 1 0 0 0 0
3 32 1 0 0 0 0
S SKP 8
ID FLNF19NP0002
KNApSAcK_ID C00010270
NAME Chapelieric acid methyl ester
CAS_RN 34336-12-4
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES C(C(C)4)(C)Oc(c2C(=O)4)c(c(O3)c(C=CC(C)(C)3)c2O)C(c(c1)cccc1)CC(OC)=O
M END
