Mol:FL1CHXGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-1.6377 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0837 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0837 1.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0240 0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5766 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1279 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2164 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2164 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0240 -0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0837 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1914 1.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2930 1.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2930 0.1953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0240 1.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9083 -0.7288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5642 -1.1831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0687 -0.9904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5905 -0.9852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9380 -0.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4441 -0.8194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3507 -0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8890 -1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 -1.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1914 0.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5766 1.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6231 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5908 0.0822 0.0000 O 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
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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
12 20 1 0 0 0 0
5 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 17 1 0 0 0 0
2 31 1 0 0 0 0
8 32 1 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 -2.6231 -0.1698
S SKP 8
ID FL1CHXGS0001
KNApSAcK_ID C00007920
NAME 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside
CAS_RN -
FORMULA C21H22O13
EXACTMASS 482.10604078999995
AVERAGEMASS 482.39158
SMILES c(c1O)c(C=C(C(=O)c(c2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)c(cc(c(O)2)O)O)O)ccc1O
M END
