Mol:FL5FECNS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 31 0 0 0 0 0 0 0 0999 V2000
-1.9671 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9671 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4108 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8545 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8545 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4108 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2581 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2982 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8142 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3812 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9481 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3812 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8142 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9556 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9556 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8472 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1328 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9902 -1.5255 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 2 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 0.4684 -0.7106
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.8472 -1.0073
S SKP 8
ID FL5FECNS0044
KNApSAcK_ID C00005055
NAME Meliternatin;7,9-Dimethoxy-6-[3,4-(methylenedioxy)phenyl]-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one;6-(1,3-Benzodioxol-5-yl)-7,9-dimethoxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
CAS_RN 479-78-7
FORMULA C19H14O8
EXACTMASS 370.068867424
AVERAGEMASS 370.30966
SMILES c(c51)(OCO5)ccc(C(O2)=C(C(c(c4OC)c(cc(c43)OCO3)2)=O)OC)c1
M END
