Mol:FL2FCBGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-1.5250 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5250 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4124 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4124 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 1.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1439 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 0.7861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1439 1.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8232 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3902 1.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3902 1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8232 2.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2563 1.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1439 -0.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -0.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1113 -0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 1.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4638 -1.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9170 -1.9303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2452 -1.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4721 -1.5475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0188 -1.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6907 -1.3836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.9893 -1.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5100 -2.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4604 -1.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9570 2.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6715 1.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8823 1.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7753 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5230 -0.6154 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
2 19 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
18 24 1 0 0 0 0
23 27 1 0 0 0 0
22 28 1 0 0 0 0
21 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 34 35
M SBL 3 1 37
M SMT 3 CH2OH
M SVB 3 37 -2.8469 -0.9852
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 -1.8823 1.4049
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.957 2.0891
S SKP 8
ID FL2FCBGM0001
KNApSAcK_ID C00008264
NAME 5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
CAS_RN 85687-90-7
FORMULA C25H30O10
EXACTMASS 490.18389718
AVERAGEMASS 490.49969999999996
SMILES O[C@H]([C@@H]1Oc(c4C)c(c3c(c4OC)C)C(=O)CC(O3)c(c2)ccc(OC)c2)[C@H]([C@@H](O)C(CO)O1)O
M END
