Mol:FL2FBCGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
0.8294 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3503 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8712 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3503 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8294 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3921 -1.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9129 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9129 -0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3921 0.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3921 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3227 0.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4926 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0214 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5501 0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5501 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0214 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4926 0.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0788 1.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8585 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4382 -0.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8329 -0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2020 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2916 -0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0935 -0.6773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4861 -0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0214 1.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3850 0.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6713 1.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3319 0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6750 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0222 0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3616 1.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0185 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0788 0.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7791 0.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5430 0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0523 0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3378 -0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1089 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3120 1.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8960 -1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6105 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
6 12 1 0 0 0 0
9 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
21 26 1 0 0 0 0
22 27 1 0 0 0 0
23 12 1 0 0 0 0
17 28 1 0 0 0 0
20 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
29 33 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
25 39 1 0 0 0 0
39 40 1 0 0 0 0
35 41 1 0 0 0 0
41 42 1 0 0 0 0
2 43 1 0 0 0 0
43 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 39 40
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 -7.2902 5.1499
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 41 42
M SBL 2 1 45
M SMT 2 ^CH2OH
M SBV 2 45 -7.6198 5.3025
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 43 44
M SBL 3 1 47
M SMT 3 OCH3
M SBV 3 47 -7.9837 4.4490
S SKP 8
ID FL2FBCGS0002
KNApSAcK_ID C00008438
NAME 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
CAS_RN 114454-39-6
FORMULA C28H34O16
EXACTMASS 626.18468504
AVERAGEMASS 626.55996
SMILES O(C(OC(C(O)2)C(CO)OC(Oc(c5)cc(OC)c(c54)C(CC(O4)c(c3)ccc(c3O)O)=O)C2O)1)C(CO)C(O)C(C(O)1)O
M END
