Mol:FLIA1LNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.0196 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0196 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9070 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4633 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2056 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9512 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3565 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3507 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0472 -0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7617 -1.1571 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
8 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
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
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 15 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 ^OCH3
M SBV 1 28 -6.6487 3.3188
S SKP 8
ID FLIA1LNF0001
KNApSAcK_ID C00009436
NAME Dehydroneotenone
CAS_RN 1242-81-5
FORMULA C19H12O6
EXACTMASS 336.063388116
AVERAGEMASS 336.29498
SMILES c(c45)c(c(OC)cc4OCO5)C(C3=O)=COc(c32)cc(c1c2)occ1
M END
