Mol:FL1DE9NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
1.7267 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7267 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1915 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6562 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1915 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1592 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2304 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2328 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2304 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2328 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1999 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1999 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5507 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6562 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2506 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9651 0.1458 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
13 24 1 0 0 0 0
12 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -5.2932 4.6210
S SKP 8
ID FL1DE9NP0001
KNApSAcK_ID C00008010
NAME Flemistrictin D
CAS_RN 84435-30-3
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c(O)2)c(c(O)c(C=3)c2OC(C3)(C)C)C(=O)CCc(c1)cccc1
M END
