Mol:FL1DRTNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
1.2228 -3.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -1.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 -1.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5684 -2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2228 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 -0.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 1.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3384 0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 0.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4876 1.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8771 1.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6915 2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4980 2.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5371 3.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0071 3.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5265 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7848 -0.6983 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
1 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
12 17 1 0 0 0 0
14 18 1 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
8 26 2 0 0 0 0
S SKP 8
ID FL1DRTNI0001
KNApSAcK_ID C00011120
NAME Brosimacutin I
CAS_RN 350221-46-4
FORMULA C20H24O6
EXACTMASS 360.1572885
AVERAGEMASS 360.40096
SMILES c(c1CCC(=O)c(c2)ccc(O)c2)cc(c(CC(O)C(C)(C)O)c(O)1)O
M END
