Mol:FL7DBANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.0718 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0718 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.8250 0.0000 O 0 3 0 0 0 3 0 0 0 0 0 0
-1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2152 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5007 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5007 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
1 3 1 0
1 4 1 0
2 5 1 0
2 6 1 0
3 7 2 0
4 8 2 0
5 9 2 0
5 10 1 0
6 11 2 0
7 11 1 0
7 12 1 0
8 9 1 0
8 13 1 0
10 14 1 0
12 15 1 0
12 16 2 0
15 17 2 0
16 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 FL7DBANS0001
KNApSAcK_ID
NAME 5-O-Methylapigeninidin
CAS_RN 135748-46-8
FORMULA C16H13O4
EXACTMASS 269.081383904
AVERAGEMASS 269.27202
SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c2)c(c1)ccc(O)c1
M END
