Mol:FL1CRTNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
0.3472 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3472 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9035 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4598 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4598 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9035 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0161 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5724 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1285 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6846 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9098 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3535 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0268 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1321 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1321 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5794 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6846 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0159 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1285 -0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4672 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1817 -0.8982 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
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
2 12 1 0 0 0 0
14 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 14 1 0 0 0 0
18 21 1 0 0 0 0
5 22 1 0 0 0 0
9 23 1 0 0 0 0
3 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 SBV 1 25 -5.6537 3.1384
S SKP 8
ID FL1CRTNI0001
KNApSAcK_ID C00007056
NAME Licochalcone C
CAS_RN 144506-14-9
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES c(OC)(c(C=CC(=O)c(c2)ccc(O)c2)1)c(c(O)cc1)CC=C(C)C
M END
