Mol:FL4DA9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.7968 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2759 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2450 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2450 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2759 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7968 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7659 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7659 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7659 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8759 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8759 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3415 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3171 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3171 -0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8375 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3567 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8759 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3567 -1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2759 -1.3645 0.0000 O 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 2 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
8 24 1 1 0 0 0
2 25 1 0 0 0 0
S SKP 8
ID FL4DA9NI0001
KNApSAcK_ID C00008607
NAME Glepidotin B
CAS_RN 87440-56-0
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES C(c(c3O)c(O)cc(c32)OC(C(C2=O)O)c(c1)cccc1)C=C(C)C
M END
