Mol:FL6DBANP0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.6372 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6372 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 -0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 -0.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5880 0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7110 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7110 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1441 1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 -1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0519 -1.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0809 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6372 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1935 0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1822 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 1.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8448 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4891 -1.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7746 -1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
9 11 1 6 0 0 0
11 12 2 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 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 1 0 0 0
8 18 1 1 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -7.3625 3.8259
S SKP 8
ID FL6DBANP0001
KNApSAcK_ID C00009028
NAME 4beta-Hydroxyobovatachromene
CAS_RN 76265-10-6
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c4)c(ccc(O)4)C(O3)C(C(c(c31)c(cc(O2)c1C=CC(C)(C)2)OC)O)O
M END
</pre>
