Mol:FL3FALNI0009
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.1300 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0952 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5389 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7852 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2182 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2422 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3520 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3520 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0845 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6513 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2074 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7623 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3172 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7623 -1.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9874 1.6360 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
17 25 1 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.4873 0.77
S SKP 8
ID FL3FALNI0009
KNApSAcK_ID C00004032
NAME Artocarpin;2',4',5-Trihydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)flavone;2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 7608-44-8
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES C(C3=O)(=C(Oc(c32)cc(OC)c(c2O)CC=C(C)C)c(c1)c(O)cc(c1)O)CC=C(C)C
M END
</pre>
