Mol:FL4DPTNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-1.8429 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7708 -0.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 -0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 0.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 0.0925 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
8 18 1 1 0 0 0
13 19 1 0 0 0 0
19 18 1 0 0 0 0
6 20 1 0 0 0 0
15 21 1 0 0 0 0
14 22 1 0 0 0 0
S SKP 8
ID FL4DPTNS0002
KNApSAcK_ID C00008602
NAME Mopanone
CAS_RN 38279-43-5
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c4)cc(O1)c(c4)C(=O)C(O3)C1c(c2)c(C3)c(O)c(O)c2
M END
