Mol:FL1CRTNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 -0.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2323 -0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 -0.9350 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 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
13 17 1 0 0 0 0
12 18 1 0 0 0 0
1 19 1 0 0 0 0
11 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -5.4051 2.4238
S SKP 8
ID FL1CRTNS0004
KNApSAcK_ID C00006938
NAME Licochalcone B
CAS_RN 58749-23-8
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c(O)1)c(C=CC(=O)c(c2)ccc(O)c2)ccc(O)1
M END
