Mol:FL3FGCGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.2869 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2869 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6152 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5174 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 0.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2380 -1.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9683 0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 1.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 -1.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7727 -0.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 -0.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7267 -1.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0399 -1.0775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4451 -1.4209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6228 -0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3098 -0.7536 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2672 -0.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1660 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9022 -1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1326 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6959 0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6441 0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1440 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4030 0.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8010 1.7324 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
15 18 1 0 0 0 0
16 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
27 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
6 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -2.1326 -0.3857
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 35 36
M SBL 2 1 38
M SMT 2 OCH3
M SVB 2 38 0.403 0.815
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -0.6441 0.6642
S SKP 8
ID FL3FGCGS0011
KNApSAcK_ID C00004523
NAME Pleurostimin 7-methyl ether 6-glucoside;5,6,3',4'-Tetrahydroxy-7,8-dimethoxyflavone 6-glucoside
CAS_RN -
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O[C@@H]([C@H]4O)[C@@H](OC(CO)[C@@H]4O)Oc(c(OC)3)c(O)c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O
M END
