Mol:FL6FCFGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.3359 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2181 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7361 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7361 0.2381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2181 0.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0209 -1.2086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6497 -1.6986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1152 -1.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5994 -1.4852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9742 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4418 -1.3571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6118 -1.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8089 -2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 -1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6372 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5932 -0.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6931 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1931 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0371 2.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4572 2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2987 1.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2987 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 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
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
17 23 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
26 3 1 0 0 0 0
22 27 1 0 0 0 0
27 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
14 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 30
M SMT 4 CH2OH
M SVB 4 30 -2.6372 -0.5068
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 33 34
M SBL 3 1 36
M SMT 3 OCH3
M SVB 3 36 2.8202 1.4414
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 2.0371 2.0049
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -1.6931 0.8568
S SKP 8
ID FL6FCFGS0001
KNApSAcK_ID C00008769
NAME Dichotosinin
CAS_RN 89294-56-4
FORMULA C24H30O10
EXACTMASS 478.18389718
AVERAGEMASS 478.48900000000003
SMILES c(c1)(c(ccc1C(O2)CCc(c(O[C@@H]([C@H]4O)OC([C@H](O)[C@@H]4O)CO)3)c2cc(c3)OC)OC)OC
M END
