Mol:FL5FAAGS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.3661 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1902 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1902 1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3028 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8591 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8591 0.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3028 1.2582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3028 -0.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5492 1.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5492 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 1.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1902 -0.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9222 1.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1160 2.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5279 -0.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5549 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0930 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4280 0.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2526 1.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8344 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1943 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8130 0.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0469 0.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1451 -1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7734 -1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5740 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7734 -0.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1451 0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3444 -0.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1148 -0.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3065 -1.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6218 -2.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1943 -1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9203 1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7172 1.5023 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
8 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
36 37 1 0 0 0 0
31 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
35 21 1 0 0 0 0
27 41 1 0 0 0 0
41 42 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 -6.4704 4.3261
S SKP 8
ID FL5FAAGS0028
KNApSAcK_ID C00005188
NAME Kaempferol 3-rhamnoside-7-glucoside
CAS_RN 64323-49-5
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C(O)5)(OC(CO)C(O)C5O)Oc(c4)cc(c(c42)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(C(O)1)OC(C)C(C1O)O)O
M END
