Mol:FL1C29NP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
3.2189 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2189 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7752 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3315 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3315 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7752 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0857 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9686 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5296 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9686 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1366 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1366 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 0.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4407 0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0396 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2352 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6374 1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3315 0.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 1.2848 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
13 30 1 0 0 0 0
S SKP 8
ID FL1C29NP0002
KNApSAcK_ID C00007127
NAME Flemiwallichin F
CAS_RN 96657-93-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(c(c3)cccc3)=CC(c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C)=O
M END
