Mol:FL1CRTNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
0.6253 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7379 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4066 -0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6317 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0754 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1878 -0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7488 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1878 -1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7488 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8540 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2940 0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2680 1.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2320 1.9775 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
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
2 11 1 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 13 1 0 0 0 0
17 20 1 0 0 0 0
5 21 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 0.268 1.1115
S SKP 8
ID FL1CRTNI0002
KNApSAcK_ID C00007057
NAME Licochalcone A
CAS_RN 58749-22-7
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES C(c(c1)c(cc(OC)c(C=CC(=O)c(c2)ccc(O)c2)1)O)(C)(C)C=C
M END
