Mol:FLIA2LNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.9215 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3038 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3038 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4546 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4546 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 -1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4778 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4778 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1063 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 -1.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1063 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1454 -1.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 -0.7183 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
18 1 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
12 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -6.5505 2.7277
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 ^OCH3
M SBV 2 33 -6.5505 2.7497
S SKP 8
ID FLIA2LNP0001
KNApSAcK_ID C00009446
NAME Ichthynone
CAS_RN 24340-62-3
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(=C3)C(c(c2O3)cc(OC)c(c21)OC(C=C1)(C)C)=O
M END
