Mol:FLIBBCNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.2871 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1745 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1745 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4942 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4942 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6838 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6838 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8432 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 -0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6832 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8432 -0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1672 0.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4527 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
15 22 1 0 0 0 0
21 23 1 0 0 0 0
23 19 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -5.8750 5.3198
S SKP 8
ID FLIBBCNP0001
KNApSAcK_ID C00009964
NAME Glycyrrhisoflavanone
CAS_RN 116709-69-4
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c4)c(c(cc(O)4)1)C(C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)CO1)=O
M END
