Mol:FL3FECNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.6513 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7399 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6346 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5198 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 2.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2910 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -1.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1330 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 2.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2973 3.1812 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 2.241 1.1662
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.3907 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.9555 -0.6877
S SKP 8
ID FL3FECNS0002
KNApSAcK_ID C00003845
NAME Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 22368-21-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O
M END
