Mol:FL3FGGNS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.7013 -0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0697 -0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -1.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7899 -0.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0614 -0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 -1.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2470 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1215 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1500 -0.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 -2.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7612 -1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0377 -2.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0655 -1.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7888 -1.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1367 -1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1666 -1.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9666 -2.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9929 -0.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5050 0.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3686 0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5103 -0.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6391 0.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5520 1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7175 -1.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0662 -2.4831 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
14 19 1 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 2.241 1.2763
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.5983 0.5921
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.9555 -0.5776
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -1.4067 0.8675
S SKP 8
ID FL3FGGNS0001
KNApSAcK_ID C00003970
NAME Gardenin E;3',5,5'-Trihydroxy-4',6,7,8-tetramethoxyflavone;2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 29550-07-0
FORMULA C19H18O9
EXACTMASS 390.095082174
AVERAGEMASS 390.34082
SMILES c(OC)(c(O)1)c(O)cc(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)c1
M END
</pre>
