Mol:FLNA29NS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.1438 1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1221 1.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 1.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 0.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5875 0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0076 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5454 -1.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 -0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6984 1.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6984 0.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6508 -1.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 1.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0009 2.6461 0.0000 C 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
9 18 1 0 0 0 0
15 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.501 1.78
S SKP 8
ID FLNA29NS0005
KNApSAcK_ID C00010199
NAME Stevenin
CAS_RN 36286-69-8
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)cc(O)cc1
M END
