Mol:FL5FCCGA0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.7827 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7827 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 -1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6701 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6701 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 0.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1138 -1.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5575 -0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5575 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1138 0.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1138 -1.6859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2901 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2769 0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2769 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2901 1.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 0.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2264 -1.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8837 1.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 -1.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2901 1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0160 -0.9132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2848 -1.4343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2937 -1.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8756 -1.4343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1765 -0.9132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5980 -1.0785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5427 -1.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 -0.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -0.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2022 1.6030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.9014 1.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4799 1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0619 1.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3628 1.6030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7842 1.4377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.6435 1.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7842 1.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8250 1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0461 -2.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2324 0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2324 -0.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1400 0.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6400 1.2633 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
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 8 1 0 0 0 0
4 3 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
24 25 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
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 20 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 19 1 0 0 0 0
25 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
42 43 1 0 0 0 0
1 44 1 0 0 0 0
44 45 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 42 43
M SBL 3 1 46
M SMT 3 CH2OH
M SVB 3 46 3.4255 1.0689
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 44
M SMT 2 CH2OH
M SVB 2 44 1.2393 -1.4474
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 48
M SMT 1 OCH3
M SVB 1 48 -4.14 0.3973
S SKP 8
ID FL5FCCGA0006
KNApSAcK_ID C00005517
NAME Rhamnetin 3-galactoside-4'-glucoside
CAS_RN -
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES OC(C1O)[C@H](OC(C(=O)5)=C(Oc(c45)cc(cc4O)OC)c(c3)ccc(c3O)O[C@H](O2)C(C(O)[C@@H](O)[C@@H](CO)2)O)O[C@@H]([C@H](O)1)CO
M END
