Mol:FL5FALNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.1289 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0163 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0163 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6524 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7863 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7863 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6524 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6761 -1.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3531 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6850 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1287 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1287 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6848 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2409 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3531 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7970 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6848 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3531 0.3213 0.0000 O 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
24 30 1 0 0 0 0
24 31 2 0 0 0 0
17 32 1 0 0 0 0
27 33 1 0 0 0 0
S SKP 8
ID FL5FALNI0002
KNApSAcK_ID C00005022
NAME Kushenol G
CAS_RN 99119-71-8
FORMULA C25H28O8
EXACTMASS 456.17841787199995
AVERAGEMASS 456.48502
SMILES c(c1C(=C(O)3)Oc(c2CC(CCC(C)(C)O)C(C)=C)c(C3=O)c(cc(O)2)O)(cc(cc1)O)O
M END
