Mol:FL5FCBGL0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.0336 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5991 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -4.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4059 -3.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2268 -3.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4464 -4.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6256 -3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2127 -2.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4200 -2.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6396 -3.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 -2.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8327 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6088 -1.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0296 -1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6743 -1.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8983 -1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4774 -2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4510 -4.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6421 -1.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0928 -0.4910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7051 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4506 -0.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2005 -1.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5883 -0.4910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8428 -0.7040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3657 -0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1448 -0.1808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1832 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 -5.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3469 -5.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0465 -1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 -2.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0951 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8129 0.0847 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
20 21 1 0 0 0 0
21 22 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
21 19 1 0 0 0 0
19 8 1 0 0 0 0
23 22 1 1 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
31 32 1 0 0 0 0
15 33 1 0 0 0 0
33 34 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 3.0465 -1.5134
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 1.6561 1.5133
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 -3.1832 0.829
S SKP 8
ID FL5FCBGL0001
KNApSAcK_ID C00005299
NAME Kaempferol 7,4'-dimethyl ether 3-glucoside;3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 52208-77-2
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES O(C)c(c1)ccc(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)c1
M END
