Mol:FL2FABNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3025 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3025 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7462 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1899 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1899 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7462 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6336 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6336 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6336 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8941 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7462 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8586 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7462 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1796 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8941 1.0418 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 5 1 0 0 0 0
9 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
6 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -8.4347 4.1498
S SKP 8
ID FL2FABNM0001
KNApSAcK_ID C00008243
NAME Matteucinol
CAS_RN 489-38-3
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES c(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)(c1)ccc(OC)c1
M END
