Mol:FL5FAAGL0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-3.0802 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0802 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9676 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9676 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 1.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4113 -0.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8550 0.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8550 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4113 1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4113 -0.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2989 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2680 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8350 1.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8350 1.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2680 2.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2989 1.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2069 -0.2406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4509 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1963 -0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9463 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3340 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5885 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1114 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8573 0.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0240 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4018 2.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 -0.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6912 1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5752 -0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0660 -1.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0660 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4669 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6912 -2.2551 0.0000 C 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
22 21 1 1 0 0 0
15 28 1 0 0 0 0
3 29 1 0 0 0 0
1 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL5FAAGL0061
KNApSAcK_ID C00005843
NAME Kaempferol 3-(6''-acetylglucoside);6''-O-Acetylastragalin
CAS_RN 118169-27-0
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES C(=O)(C=2OC(O4)C(O)C(C(C(COC(C)=O)4)O)O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O
M END
