Mol:FL1CRTNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
1.7343 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2906 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2906 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4773 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6397 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 -0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6397 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7450 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 0.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2977 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4030 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2906 -0.9894 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 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
5 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
3 24 1 0 0 0 0
S SKP 8
ID FL1CRTNP0002
KNApSAcK_ID C00007058
NAME Munsericin
CAS_RN 158991-21-0
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c1)c(C(=O)C=Cc(c(O)3)ccc(O)c3)cc(C=2)c1OC(C2)(C)C
M END
