Mol:FLICQUNS0006
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.5211 -0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5958 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7621 -1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6874 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3826 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5488 -1.8154 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.0946 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4741 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1691 -1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6547 -1.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3181 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4959 -2.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0102 -2.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3468 -2.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4771 -0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1878 -3.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1442 -1.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9412 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 -0.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1350 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4618 -2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4277 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 0.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
12 17 2 0 0 0 0
15 18 2 0 0 0 0
13 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 -2.8184 0.4285
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 2.1039 -0.877
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.4612 1.5982
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 0.8548 -1.1857
S SKP 8
ID FLICQUNS0006
KNApSAcK_ID C00009745
NAME Abruquinone A;6,7,3',4'-Tetramethoxy-2',5'-isoflavanquinone
CAS_RN 71593-10-7
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES c(c3OC)(=O)cc(c(c3OC)=O)C(C2)Cc(c(O2)1)cc(OC)c(OC)c1
M END
</pre>
