Mol:FL5FAAGL0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-2.5450 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5450 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4323 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4323 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 1.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8760 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3197 0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3197 1.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8760 1.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8760 -0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2364 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8033 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2364 2.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9887 -0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1010 1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9371 2.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0644 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6768 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4222 -0.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1722 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5599 0.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8144 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3445 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1214 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1010 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8830 -0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0950 -1.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5282 -2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3532 -1.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 -1.7863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6958 -1.2656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7138 -1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2419 -0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0463 -2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9254 -2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7401 0.2108 0.0000 O 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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
21 22 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 21 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 31 1 0 0 0 0
27 8 1 0 0 0 0
27 22 1 0 0 0 0
21 41 1 0 0 0 0
S SKP 8
ID FL5FAAGL0004
KNApSAcK_ID C00005162
NAME Kaempferol 3-vicianoside
CAS_RN 110352-79-9
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C(O)3)OC(COC(O4)C(O)C(C(O)C4)O)C(O)C(O)3)1)O
M END
