Mol:FL5FAAGS0094
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-0.3195 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3195 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1095 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1095 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 1.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8918 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8918 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 -0.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6063 1.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4276 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7102 3.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 -0.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5721 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1670 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -1.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 -2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 -2.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1237 -3.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5545 -3.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9639 -1.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4004 -0.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9687 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2706 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6865 1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3846 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5772 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3669 2.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1738 2.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6063 1.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2462 1.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2672 1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6263 0.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8197 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5197 -0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8996 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7063 -0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 -0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4110 -1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9197 -1.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6981 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0634 0.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
26 30 1 0 0 0 0
27 31 1 0 0 0 0
22 32 1 0 0 0 0
19 23 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
38 40 1 0 0 0 0
37 41 1 0 0 0 0
36 42 1 0 0 0 0
42 43 1 0 0 0 0
34 20 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
48 47 1 1 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
32 45 1 0 0 0 0
47 50 1 0 0 0 0
48 51 1 0 0 0 0
49 52 1 0 0 0 0
46 53 1 0 0 0 0
S SKP 8
ID FL5FAAGS0094
KNApSAcK_ID C00013761
NAME Kaempferol 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 189883-00-9
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=C(c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)1)(OC(C(OC(O4)C(O)C(O)C(O)C4C)3)OC(CO)C(O)C(O)3)C(=O)c(c(O)2)c(cc(c2)O)O1
M END
</pre>
