Mol:FL4DALNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6721 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2276 1.3640 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
15 21 1 0 0 0 0
17 22 1 0 0 0 0
S SKP 8
ID FL4DALNS0001
KNApSAcK_ID C00008570
NAME Dihydromorin
CAS_RN 18422-83-8
FORMULA C15H12O7
EXACTMASS 304.058302738
AVERAGEMASS 304.25158
SMILES Oc(c3)cc(O)c(c3)C(O1)C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
