Mol:FL2FA8NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.0784 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0784 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0342 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0342 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1468 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1468 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8368 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2699 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7029 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1361 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1910 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6347 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4888 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8368 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5221 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 1.9266 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
16 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
19 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
S SKP 8
ID FL2FA8NP0001
KNApSAcK_ID C00008261
NAME Minimiflorin
CAS_RN 98621-33-1
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(=O)(c31)CC(c(c4O)cccc4)Oc1c(CC=C(C)C)c(O2)c(c3O)C=CC2(C)C
M END
