Mol:FL7DCANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-0.7144 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7144 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 0.6188 0.0000 O 0 3 0 0 0 4 0 0 0 0 0 0
-1.4290 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4290 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4290 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4290 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5723 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5723 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
1 4 2 0
2 5 2 0
2 6 1 0
3 7 2 0
4 8 1 0
5 9 1 0
5 10 1 0
6 11 2 0
7 11 1 0
7 12 1 0
8 9 2 0
8 13 1 0
12 14 1 0
12 15 2 0
13 16 1 0
14 17 2 0
15 18 1 0
17 19 1 0
18 19 2 0
19 20 1 0
M CHG 1 3 1
S SKP 9
AUTODRAW FALSE
ID FL7DCANS0001
KNApSAcK_ID
NAME 7-O-Methylapigeninidin
CAS_RN 170310-02-8
FORMULA C16H13O4
EXACTMASS 269.081383904
AVERAGEMASS 269.27202
SMILES COc(c1)cc([o+1]2)c(ccc2c(c3)ccc(O)c3)c(O)1
M END
