Mol:FL3FAADS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.6238 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6014 -1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6014 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -0.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0451 -2.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1799 -0.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3918 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3918 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8056 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2193 0.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9776 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1572 1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4483 1.4418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1845 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2788 0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0263 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0046 2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 2.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -2.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4638 -0.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0926 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5581 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0424 -0.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4171 -0.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8848 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9776 -1.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6713 -1.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2519 -1.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2832 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4863 -0.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4891 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2035 1.0699 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
1 12 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
13 9 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
6 23 1 0 0 0 0
3 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
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 12 1 0 0 0 0
35 39 1 0 0 0 0
39 40 1 0 0 0 0
25 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 39 40
M SBL 1 1 43
M SMT 1 ^CH2OH
M SBV 1 43 -6.0713 6.4854
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 -5.1575 5.9987
S SKP 8
ID FL3FAADS0003
KNApSAcK_ID C00006215
NAME Vitexin 7-O-glucoside
CAS_RN 35109-95-6
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C1O)(C(C(c(c24)c(OC(C5O)OC(C(O)C5O)CO)cc(c(C(=O)C=C(O4)c(c3)ccc(O)c3)2)O)OC1CO)O)O
M END
