Mol:FL5FA9NS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0689 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0689 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5126 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9563 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9563 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5126 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1563 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1563 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8463 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8463 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7124 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6250 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5126 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7123 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5783 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5628 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2772 1.3299 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 1.5628 1.7424
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 SVB 1 23 1.9105 -0.022
S SKP 8
ID FL5FA9NS0008
KNApSAcK_ID C00004656
NAME Morelosin
CAS_RN 62008-19-9
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)cc(cc(OC)3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M END
