Mol:FL2F1ANP0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.3308 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6838 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6838 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3308 0.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9778 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9778 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0368 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6101 -0.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0368 0.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0368 -1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9760 -0.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5769 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9760 1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0965 1.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3308 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9375 1.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5442 0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5442 0.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9375 1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7123 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0965 0.8177 0.0000 C 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
2 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 3 1 0 0 0 0
7 11 2 0 0 0 0
12 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 12 1 0 0 0 0
9 12 1 6 0 0 0
15 18 1 0 0 0 0
4 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 5 1 0 0 0 0
20 23 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL2F1ANP0006
KNApSAcK_ID C00011115
NAME Brosimacutin D
CAS_RN 350221-48-6
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O2)O)c1
M END
