Mol:FL7AADNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
0.0000 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7180 0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.6183 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0034 -0.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4291 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7180 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4325 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7214 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7042 -1.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1471 0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4360 1.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4359 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1471 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1505 1.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8582 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1471 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8580 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8616 1.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5727 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8580 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1435 -1.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5727 0.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 2 0
1 4 1 0
2 5 2 0
2 6 1 0
3 7 1 0
4 8 2 0
4 9 1 0
5 10 1 0
6 11 2 0
7 12 2 0
7 13 1 0
10 14 2 0
10 15 1 0
12 16 1 0
13 17 2 0
14 18 1 0
15 19 1 0
16 20 2 0
16 21 1 0
17 22 1 0
8 12 1 0
11 14 1 0
17 20 1 0
M CHG 1 3 1
S SKP 7
ID FL7AADNS0001
NAME Peonidin
CAS_RN 134-01-0
FORMULA C16H13O6
EXACTMASS 301.07121314799997
AVERAGEMASS
SMILES
AVERAGEMASS 301.27081999999996
SMILES COc(c(O)3)cc(cc3)c([o+1]1)c(O)cc(c(O)2)c(cc(O)c2)1
M END
