Mol:FL7AAHNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
0.7199 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4311 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7199 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7129 0.2078 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0016 -1.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4380 1.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4310 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7130 -1.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1526 1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 -0.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4413 2.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4345 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1457 0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8673 1.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5751 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1457 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8570 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8570 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1422 -2.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5751 0.2113 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
5 9 1 0
6 10 2 0
6 11 1 0
7 12 2 0
7 13 1 0
8 14 1 0
9 15 2 0
9 16 1 0
12 17 1 0
13 18 1 0
15 19 1 0
16 20 2 0
19 21 2 0
19 22 1 0
20 23 1 0
8 12 1 0
10 15 1 0
20 21 1 0
M CHG 1 5 1
S SKP 7
ID FL7AAHNS0001
NAME Petunidin
CAS_RN 1429-30-7
FORMULA C16H13O7
EXACTMASS 317.06612777
AVERAGEMASS
SMILES
AVERAGEMASS 317.27022
SMILES COc(c1)c(O)c(O)cc1c([o+1]2)c(O)cc(c(O)3)c(cc(O)c3)2
M END
