Mol:FL3FFLNS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1488 1.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2120 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6534 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 1.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 2.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4956 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4956 0.8390 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
17 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 5 SUP
M SLB 1 5 5
M SAL 5 2 27 28
M SBL 5 1 29
M SMT 5 OCH3
M SVB 5 29 2.0624 1.1662
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 -2.7769 0.482
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 0.0044 1.4577
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 1.212 1.7424
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 -1.5853 0.7574
S SKP 8
ID FL3FFLNS0003
KNApSAcK_ID C00003953
NAME Serpyllin;5-Hydroxy-2',3',4',7,8-pentamethoxyflavone;5-Hydroxy-7,8-dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 21315-67-3
FORMULA C20H20O8
EXACTMASS 388.11581761599996
AVERAGEMASS 388.368
SMILES COc(c3OC)cc(O)c(c23)C(=O)C=C(O2)c(c1OC)ccc(c1OC)OC
M END
</pre>
