Mol:FL2F1ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-2.5417 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -0.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 -0.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -2.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5411 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0410 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 0.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4750 1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9751 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4750 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4753 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -0.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -0.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -0.4329 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 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
7 19 2 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
14 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
26 15 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL2F1ANI0001
KNApSAcK_ID C00001005
NAME Sophoranone;(-)-Sophoranone
CAS_RN 23057-55-8
FORMULA C30H36O4
EXACTMASS 460.26135963999997
AVERAGEMASS 460.60444
SMILES C(C=C(C)C)c(c13)c(ccc1C(=O)CC([H])(O3)c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)O
M END
