Mol:FL5FCCGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.1662 -5.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 -5.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6861 -4.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2732 -3.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3594 -4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5791 -4.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 -3.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0800 -2.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5526 -2.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7723 -3.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 -3.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7415 -1.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 -1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8070 -1.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0309 -2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6101 -2.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5094 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.8037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5724 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3178 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 -1.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4555 -0.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7100 -1.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2329 -0.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9788 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2347 0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2277 -1.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3183 -4.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6754 -2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 -5.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 -6.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6015 -1.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3160 -1.8551 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
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
16 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
22 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 2.6015 -1.4426
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -3.316 0.5163
S SKP 8
ID FL5FCCGA0001
KNApSAcK_ID C00005505
NAME Rhamnetin 3-galactoside
CAS_RN 38975-81-4
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c(C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)1)cc(c(c1)O)O
M END
