Mol:FL2FCDNI0001
From Metabolomics.JP
(Difference between revisions)
Revision as of 09:00, 7 October 2008
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Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.1300 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.3209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5389 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3520 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6859 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5017 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 0.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9874 1.1638 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
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
15 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 -1.4873 0.2978
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 2.5017 1.5583
S SKP 8
ID FL2FCDNI0001
KNApSAcK_ID C00008322
NAME Amoradinin
CAS_RN 94927-38-5
FORMULA C27H32O6
EXACTMASS 452.219888756
AVERAGEMASS 452.53938
SMILES O(c(c1O)cc(C(O3)CC(c(c32)c(c(c(OC)c2CC=C(C)C)CC=C(C)C)O)=O)cc1)C
M END
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