Mol:FL5FF8NN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.4303 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3177 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3177 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -0.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 -1.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 -1.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2386 -2.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 -1.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4850 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3510 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0518 -1.1058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 0.1650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9634 -0.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9634 -0.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 0.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8767 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8767 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 2.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5076 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0518 -0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 2.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6609 -2.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5269 -2.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6609 -0.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 0.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3349 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3104 -2.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5960 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0630 1.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7701 2.1208 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
20 23 1 6 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
21 29 1 1 0 0 0
29 30 1 0 0 0 0
26 31 1 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
17 34 1 0 0 0 0
34 35 1 0 0 0 0
25 36 1 0 0 0 0
36 37 1 0 0 0 0
3 38 1 0 0 0 0
38 39 1 0 0 0 0
24 40 1 0 0 0 0
40 41 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 29 30
M SBL 6 1 33
M SMT 6 CH2OH
M SVB 6 33 -2.5076 0.1647
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 40 41
M SBL 5 1 44
M SMT 5 OCH3
M SVB 5 44 -0.6921 0.8655
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 38 39
M SBL 4 1 42
M SMT 4 OCH3
M SVB 4 42 -1.3104 -2.2237
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 36 37
M SBL 3 1 40
M SMT 3 OCH3
M SVB 3 40 -0.3349 2.0104
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 0.9938 0.4949
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 1.0052 -1.9269
S SKP 8
ID FL5FF8NN0001
KNApSAcK_ID C00005038
NAME 6,8-Dimethoxy-2,3-trans-2-(4-hydroxy-2,3-dimethoxyphenyl)-9-(5-hydroxy-2-methoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7H-1,4-dioxono[2,3-h]chromene-7-one
CAS_RN 162663-69-6
FORMULA C29H28O12
EXACTMASS 568.15807636
AVERAGEMASS 568.5254199999999
SMILES C(OC)(=C(c(c5OC)cc(O)cc5)1)C(=O)c(c(OC)4)c(c(c(c4)3)O[C@H]([C@H](CO)O3)c(c2)c(c(OC)c(c2)O)OC)O1
M END
