Mol:FLIA1CCS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9711 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9711 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8585 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4148 -0.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2541 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -0.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -2.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5272 -0.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0663 2.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6719 1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4150 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9448 0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2498 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2330 2.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7067 2.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0504 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 -2.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7689 -1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5272 -1.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5272 -2.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7441 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0297 1.1892 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
25 28 1 0 0 0 0
27 8 1 0 0 0 0
24 29 1 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SBV 1 33 -7.1126 5.9737
S SKP 8
ID FLIA1CCS0001
KNApSAcK_ID C00006360
NAME Pueraria glycoside 1
CAS_RN 117060-54-5
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES c(c3C(C(O)4)OC(CO)C(O)C4O)(ccc(c31)C(C(c(c2)cc(c(O)c2)O)=CO1)=O)O
M END
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