Mol:FL2FA9NS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-0.5569 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4849 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4849 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5569 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0058 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1157 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1157 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0470 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0360 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0773 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5548 -0.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1157 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 22 2 0 0 0 0
S SKP 8
ID FL2FA9NS0008
KNApSAcK_ID C00008480
NAME Pinocembrin 7-O-benzoate
CAS_RN 153653-38-4
FORMULA C22H16O5
EXACTMASS 360.099773622
AVERAGEMASS 360.35944000000006
SMILES C(O2)(CC(c(c4O)c(cc(c4)OC(c(c3)cccc3)=O)2)=O)c(c1)cccc1
M END
