Mol:FLIAACNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.1965 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 -0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 0.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3049 -0.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 -0.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -0.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 -1.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6969 -1.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6960 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1965 1.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6969 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6969 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2328 1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3403 1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6966 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -1.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6969 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -1.7433 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
7 11 2 0 0 0 0
8 12 1 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 17 1 0 0 0 0
17 12 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 1 0 0 0
23 26 1 6 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FLIAACNP0001
KNApSAcK_ID C00002562
NAME Pomiferin
CAS_RN 572-03-2
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c(O)4)(cc(cc4)C(=C1)C(c(c3O)c(c(c2c3CC=C(C)C)C=CC(O2)(C)C)O1)=O)O
M END
