Mol:FL1CE9NS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.0511 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0511 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1741 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7302 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4083 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2863 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3822 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4948 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9312 -0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4083 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9082 1.7715 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
5 17 1 0 0 0 0
6 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -2.4083 0.9054
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.9312 -0.8374
S SKP 8
ID FL1CE9NS0003
KNApSAcK_ID C00006961
NAME 2',3'-Dihydroxy-4',6'-dimethoxychalcone
CAS_RN 54299-64-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)c(O)c(O)c(C(=O)C=Cc(c2)cccc2)c(OC)1
M END
