Mol:FL5FA9GL0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.8898 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8898 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7772 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7772 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1085 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4585 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0255 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0255 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4585 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1085 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0660 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1115 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4693 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3915 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1684 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1663 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4459 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -1.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4459 -1.4895 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
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
19 20 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 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
1 28 1 0 0 0 0
3 29 1 0 0 0 0
22 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 -4.8072 7.5556
S SKP 8
ID FL5FA9GL0001
KNApSAcK_ID C00005120
NAME Galanginin
CAS_RN 68592-14-3
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)C(C(O)1)OC(CO)C(O)C1O
M END
</pre>
