Mol:FL5FF8NSH001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.6027 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6018 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3991 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 0.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 -0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9599 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8992 0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1022 -1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1013 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3693 1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4296 1.6318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 0.6584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4427 1.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2651 -1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1312 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4598 1.2974 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 5 1 0 0 0 0
9 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
3 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -1.9599 0.4313
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.542 -0.9716
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -0.8522 0.6584
S SKP 8
ID FL5FF8NSH001
KNApSAcK_ID C00001026
NAME Chlorflavonin
CAS_RN 23363-64-6
FORMULA C18H15ClO7
EXACTMASS 378.050630544
AVERAGEMASS 378.76019999999994
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c(O)3)cccc3Cl)=C2OC)1)O
M END
