Mol:FL7ABINS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.4343 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4308 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 -1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7197 -1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7128 0.2095 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-2.1455 0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8599 -1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1419 -2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0017 -1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8599 -0.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8531 -2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7095 -1.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7197 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5744 0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4308 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7197 1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1488 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4377 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1522 1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 -0.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4411 2.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8633 1.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5744 0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7265 2.6796 0.0000 C 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
3 8 1 0
4 9 2 0
5 10 2 0
6 11 2 0
8 12 1 0
9 13 1 0
10 14 1 0
11 15 1 0
14 16 2 0
14 17 1 0
16 18 1 0
17 19 2 0
18 20 2 0
18 21 1 0
19 22 1 0
20 23 1 0
21 24 1 0
22 25 1 0
7 11 1 0
9 10 1 0
19 20 1 0
M CHG 1 5 1
S SKP 7
ID FL7ABINS0001
NAME Capensinidin
CAS_RN 19077-85-1
FORMULA C18H17O7
EXACTMASS 345.097427898
AVERAGEMASS
SMILES
AVERAGEMASS 345.32338000000004
SMILES COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)cc(c(OC)3)c(cc(O)c3)2
M END
