Mol:FL5FAADS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
1.5531 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8386 1.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1241 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1241 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8386 -0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5531 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5903 1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3048 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3048 0.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5903 -0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5903 -0.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8386 -0.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3348 1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0493 1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7638 1.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7638 2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0493 2.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3348 2.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3790 2.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1901 -0.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8958 0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4831 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6848 0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8913 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3039 0.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1023 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2593 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7391 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3790 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9318 0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8563 -0.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8989 -2.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7207 -2.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 -1.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6539 -0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5420 -1.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9730 -1.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 -1.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0147 -2.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 -2.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4343 -2.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
6 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 9 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 21 1 0 0 0 0
S SKP 8
ID FL5FAADS0001
KNApSAcK_ID C00014073
NAME 6-C-Glucosylkaempferol 3-O-glucoside
CAS_RN 562068-71-7
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES OCC(O1)C(O)C(C(C1c(c5O)c(c(c3c5)C(=O)C(OC(C(O)4)OC(C(C(O)4)O)CO)=C(O3)c(c2)ccc(c2)O)O)O)O
M END
