Mol:FLIE1ANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.3369 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3369 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2243 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3320 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3320 1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 0.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3378 -0.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2281 -0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4444 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 -0.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6072 -0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 -1.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1209 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2281 -1.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7690 1.3438 0.0000 O 0 0 0 0 0 0 0 0 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 2 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 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
9 19 2 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 21 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
1 26 1 0 0 0 0
S SKP 8
ID FLIE1ANI0002
KNApSAcK_ID C00009776
NAME Psoralidin oxide
CAS_RN -
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES O(C1Cc(c(O)5)cc(c42)c(c5)OC(c2c(c3)c(o4)cc(O)c3)=O)C1(C)C
M END
