Mol:FLIA1ADS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-3.2970 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2970 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7407 -1.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1844 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1844 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7407 0.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -1.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0718 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0718 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 0.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8531 0.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5159 2.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1215 2.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8646 1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8577 0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3944 1.4051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6994 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6777 3.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1563 2.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5000 1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4538 -1.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1324 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 -1.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1324 -0.7236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4538 -1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1442 -2.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2965 -2.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7603 -1.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1521 -2.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7296 -2.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3278 -2.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8534 -1.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9619 -1.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5733 -2.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8531 -2.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 -3.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 -3.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1841 2.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 1.8681 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 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
27 8 1 0 0 0 0
28 24 1 0 0 0 0
29 30 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 29 1 0 0 0 0
29 35 1 0 0 0 0
34 36 1 0 0 0 0
33 37 1 0 0 0 0
30 28 1 0 0 0 0
32 38 1 0 0 0 0
38 39 1 0 0 0 0
18 40 1 0 0 0 0
40 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 42
M SMT 1 CH2OH
M SBV 1 42 -8.2616 5.6074
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 SBV 2 44 -7.8307 6.7969
S SKP 8
ID FLIA1ADS0001
KNApSAcK_ID C00006228
NAME Puerarin 4'-O-glucoside
CAS_RN 117047-08-2
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES C(C5O)(CO)OC(C(O)C5O)c(c41)c(O)ccc1C(C(=CO4)c(c3)ccc(c3)OC(O2)C(O)C(O)C(O)C2CO)=O
M END
