Mol:FL1C1LNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
2.0086 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0086 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1212 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1212 0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3079 -0.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 -0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 -0.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9181 0.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4707 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4707 0.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9181 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 -0.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6773 0.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0233 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5746 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1259 -0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6773 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1259 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0233 0.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9181 -0.9477 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
3 17 1 0 0 0 0
5 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
16 25 1 0 0 0 0
S SKP 8
ID FL1C1LNI0001
KNApSAcK_ID C00007091
NAME Morachalcone A
CAS_RN 76472-88-3
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c2)cc(O)c(c2)C=CC(=O)c(c1)c(O)c(c(O)c1)CC=C(C)C
M END
