Mol:FL2FACNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 0 0 0 0 0 0999 V2000
-1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2473 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 -0.9789 0.0000 C 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
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
6 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL2FACNI0005
KNApSAcK_ID C00008323
NAME Amorisin
CAS_RN 83474-70-8
FORMULA C30H36O6
EXACTMASS 492.251188884
AVERAGEMASS 492.60324
SMILES CC(C)=CCc(c31)c(O)c(c(O)c1C(CC(O3)c(c2)cc(CC=C(C)C)c(O)c(O)2)=O)CC=C(C)C
M END
