Mol:FL5FAAGL0068
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-2.8299 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8299 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2736 0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7173 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7173 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2736 1.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5184 1.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0854 1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0854 2.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5184 2.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0486 2.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2736 -0.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8791 2.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3248 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9463 0.8934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3887 0.3094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0257 0.5571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8008 0.4821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1938 1.0106 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.6364 0.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 0.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6990 0.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8008 0.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2335 -0.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9703 -0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9703 -1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8906 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 -2.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8906 -2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3947 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1171 -2.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5089 1.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6544 2.1249 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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
27 8 1 0 0 0 0
24 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 35 1 0 0 0 0
38 41 1 0 0 0 0
25 42 1 0 0 0 0
42 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 42 43
M SBL 1 1 46
M SMT 1 CH2OH
M SVB 1 46 2.5322 0.9907
S SKP 8
ID FL5FAAGL0068
KNApSAcK_ID C00005850
NAME Kaempferol 3-(3''-p-coumarylglucoside)
CAS_RN 74712-68-8
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES O(C(CO)1)[C@H](OC(C5=O)=C(Oc(c54)cc(cc4O)O)c(c3)ccc(O)c3)[C@@H]([C@H](OC(C=Cc(c2)ccc(O)c2)=O)[C@@H]1O)O
M END
