Mol:FL7AAGNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
0.3572 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3538 0.2036 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3537 -1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7896 -0.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3641 -1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0682 -1.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7896 1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0752 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7896 2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2185 -0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2185 1.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7828 -2.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2185 0.2071 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 1 0
7 13 2 0
10 14 2 0
10 15 1 0
11 16 1 0
12 17 2 0
13 18 1 0
14 19 1 0
17 20 1 0
17 21 1 0
18 22 1 0
8 12 1 0
11 14 1 0
18 20 2 0
M CHG 1 3 1
S SKP 8
ID FL7AAGNS0001
KNApSAcK_ID C00020091
NAME Delphinidin
CAS_RN 528-53-0
FORMULA C15H11O7
EXACTMASS
AVERAGEMASS
SMILES
EXACTMASS 303.050477706
AVERAGEMASS 303.24364
SMILES Oc(c1)cc([o+1]2)c(cc(O)c2c(c3)cc(O)c(O)c(O)3)c(O)1
M END
