Mol:FL1DA9NM0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-1.6228 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6228 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 -0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6933 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 -1.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2343 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6975 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 -0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 0.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 -1.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0872 -0.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1580 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2289 0.5364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 0.1239 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 1 1 0 0 0 0
3 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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
8 17 2 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
6 20 1 0 0 0 0
5 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 22
M SMT 1 OCH3
M SBV 1 22 -5.5061 4.5583
S SKP 8
ID FL1DA9NM0005
KNApSAcK_ID C00007998
NAME Angoletin
CAS_RN 76444-55-8
FORMULA C18H20O4
EXACTMASS 300.136159128
AVERAGEMASS 300.349
SMILES c(c2C)(c(c(c(c2O)C(=O)CCc(c1)cccc1)OC)C)O
M END
