Mol:FL1CRTNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.8538 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8549 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1409 -0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4262 -0.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4251 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1387 0.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7117 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7117 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7170 -0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4314 -0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1459 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8538 0.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1361 0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4249 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1387 1.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 0.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1361 1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5683 0.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0040 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
6 17 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL1CRTNS0006
KNApSAcK_ID C00014432
NAME 3,4,3',4'-Tetrahydroxy-2-methoxychalcone
CAS_RN 197227-39-7
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c(O)1)c(C=CC(=O)c(c2)cc(O)c(O)c2)ccc(O)1
M END
