Mol:FL1BACNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.0145 0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0145 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 0.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0919 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 0.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3282 -0.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2249 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8257 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 -0.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 -0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 -0.0700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9901 -1.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 -0.7205 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
16 21 1 0 0 0 0
6 22 1 0 0 0 0
S SKP 8
ID FL1BACNS0001
KNApSAcK_ID C00008070
NAME Alphitonin
CAS_RN 493-36-7
FORMULA C15H12O7
EXACTMASS 304.058302738
AVERAGEMASS 304.25158
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)(Cc(c2)cc(O)c(O)c2)1
M END
