Mol:FL2F1ANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.9629 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9627 1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5188 1.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 1.8774 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
6 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 FL2F1ANI0003
KNApSAcK_ID C00008197
NAME Isobavachin
CAS_RN 31524-62-6
FORMULA C20H20O4
EXACTMASS 324.136159128
AVERAGEMASS 324.37039999999996
SMILES Oc(c1)ccc(C(C2)Oc(c(CC=C(C)C)3)c(ccc3O)C(=O)2)c1
M END
