Mol:FL3F98NS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6004 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.5799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3068 -0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0313 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3237 2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -2.9925 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
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
2 18 1 0 0 0 0
18 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -1.4805 -1.153
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 0.8237 1.5655
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 1.3168 -0.1989
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.3149 -0.5799
S SKP 8
ID FL3F98NS0012
KNApSAcK_ID C00003857
NAME Zapotin;2-(2,6-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 14813-19-5
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(c1OC)(OC)ccc(O2)c(C(=O)C=C2c(c(OC)3)c(OC)ccc3)1
M END
