Mol:FL1AECNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.7872 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7872 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 -1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3582 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3582 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3560 -0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0724 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0714 -1.4432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6548 -2.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 -0.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7868 0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5019 1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 1.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7869 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0728 1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0730 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5016 -0.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2161 2.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 -2.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7872 -3.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7869 3.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2161 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5016 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2161 -1.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
18 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
S SKP 8
ID FL1AECNS0001
KNApSAcK_ID C00014658
NAME Hamiltrone;DR 30;3',4'-Dihydroxy-4,5,6-trimethoxyaurone
CAS_RN 205444-63-9
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)c(o2)c(c(c2=Cc(c3)cc(O)c(O)c3)=O)c(c1OC)OC
M END
