Mol:FL5FELGS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
40 43 0 0 0 0 0 0 0 0999 V2000
-2.0376 -0.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0376 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4813 -1.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 -0.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4813 -0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 -1.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1876 -1.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1876 -0.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 -0.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 -2.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7437 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3107 -0.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8776 -0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8776 0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3107 0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7437 0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4813 -2.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5200 1.9570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4332 1.2648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7899 1.1658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2798 0.8786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4354 1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0351 1.4825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.7700 2.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0393 1.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 0.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1351 0.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6532 0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3677 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3923 2.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7343 3.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8406 -0.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4240 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7844 -1.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3677 -1.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7436 -0.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6096 -1.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0536 -1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9196 -2.3892 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
3 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
28 17 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
2 35 1 0 0 0 0
35 36 1 0 0 0 0
14 37 1 0 0 0 0
37 38 1 0 0 0 0
8 39 1 0 0 0 0
39 40 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 31 32
M SBL 6 1 34
M SMT 6 CH2OH
M SVB 6 34 -1.1019 1.7691
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 39 40
M SBL 5 1 42
M SMT 5 OCH3
M SVB 5 42 0.3864 -1.5954
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 37 38
M SBL 4 1 40
M SMT 4 OCH3
M SVB 4 40 2.0872 -0.632
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 38
M SMT 3 OCH3
M SVB 3 38 -2.7844 -1.9887
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 -2.5935 -0.165
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 2.6532 0.6088
S SKP 8
ID FL5FELGS0003
KNApSAcK_ID C00005790
NAME Chrysosplenoside H;Brickellin 2'-glucoside;5,2'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone 2'-glucoside;2-[2-(beta-D-Glucopyranosyloxy)-4,5-dimethoxyphenyl]-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 86880-87-7
FORMULA C26H30O14
EXACTMASS 566.163555668
AVERAGEMASS 566.508
SMILES C(OC)(=C2c(c(O[C@H](O4)[C@@H](O)[C@H]([C@@H](O)C4CO)O)3)cc(OC)c(OC)c3)C(=O)c(c(O)1)c(O2)cc(OC)c1OC
M END
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