Mol:FL1CHYNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.7355 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7355 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1792 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4898 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 -0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 -0.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7239 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1629 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0665 -0.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3464 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6156 -0.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9011 -0.8991 0.0000 C 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 1 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
9 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -5.7978 3.7563
S SKP 8
ID FL1CHYNF0003
KNApSAcK_ID C00007018
NAME Pongamol
CAS_RN 484-33-3
FORMULA C18H14O4
EXACTMASS 294.089208936
AVERAGEMASS 294.30136
SMILES c(c23)(occ3)ccc(c2OC)C(=O)CC(=O)c(c1)cccc1
M END
