Mol:FLIB1LNF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.9669 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2583 0.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2583 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2980 1.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8144 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4094 -0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9554 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0999 -0.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8954 -0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8700 -1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7361 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4092 -2.8654 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 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
12 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 0.9918 -1.0369
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 2.2409 -0.7282
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 0.0999 -0.4525
S SKP 8
ID FLIB1LNF0003
KNApSAcK_ID C00009549
NAME Nepseudin
CAS_RN 20848-57-1
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c4)(c1)c(oc4)cc(O3)c(C(=O)C(C3)c(c2OC)ccc(c2OC)OC)1
M END
