Mol:FL5FAAGL0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-4.3645 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3645 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8082 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2519 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2519 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8082 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6956 -0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1393 -0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1393 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6956 0.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6956 -0.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5832 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4492 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4492 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 1.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5832 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8082 -0.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9206 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1176 1.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1428 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3973 -0.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3527 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 -0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0051 -0.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4751 -0.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3018 0.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2815 -0.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0635 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0794 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5861 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1985 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9440 -1.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6939 -1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0817 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3361 -1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6304 -1.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6431 -0.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6228 -1.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 -0.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2061 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9206 -1.9123 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
27 8 1 0 0 0 0
27 22 1 0 0 0 0
21 31 1 0 0 0 0
32 33 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 32 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
38 33 1 0 0 0 0
32 41 1 0 0 0 0
38 30 1 0 0 0 0
35 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 SBV 1 46 -6.8594 3.5441
S SKP 8
ID FL5FAAGL0008
KNApSAcK_ID C00005166
NAME Kaempferol 3-gentiobioside
CAS_RN 22149-35-5
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(O)(c1)cc(c(C(=O)2)c(OC(c(c5)ccc(c5)O)=C2OC(C3O)OC(COC(C4O)OC(C(C(O)4)O)CO)C(C(O)3)O)1)O
M END
