Mol:FL631ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.4081 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4081 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8696 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3311 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3311 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8696 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7925 -0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 -0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2540 0.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7925 0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2255 0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7703 0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3150 0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3150 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7703 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2255 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1679 -0.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 1.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9463 0.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 -0.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 -0.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 -1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9463 -0.4731 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
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 6 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
8 17 1 1 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
13 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
S SKP 8
ID FL631ANI0001
KNApSAcK_ID C00008911
NAME Broussinol
CAS_RN 90902-19-5
FORMULA C20H22O4
EXACTMASS 326.151809192
AVERAGEMASS 326.38628
SMILES c(O)(c3)ccc(c31)CC(C(c(c2)cc(c(O)c2)CC=C(C)C)O1)O
M END
