Mol:FL2F1ANI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.1306 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1306 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0180 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0946 0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 0.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6507 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5383 -1.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7222 0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3514 1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6867 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2416 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3514 -0.4925 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
18 1 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
S SKP 8
ID FL2F1ANI0006
KNApSAcK_ID C00008247
NAME Bavachin
CAS_RN 19879-32-4
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c1)ccc(C(C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1
M END
