Mol:FL6FDDNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.3931 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3931 0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1854 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8999 0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8999 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1854 1.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 1.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5075 1.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1854 2.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6125 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7773 0.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5075 -0.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3931 -2.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0664 -2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 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 2 2 0 0 0 0
3 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 4 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
14 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
S SKP 8
ID FL6FDDNS0001
KNApSAcK_ID C00013559
NAME (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan;(S)-4-(3,4-Dihydro-5,7-dimethoxy-2H-1-benzopyran-2-yl)-2-methoxyphenol
CAS_RN 185146-55-8
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c12)(OC)cc(OC)cc1OC(c(c3)cc(OC)c(O)c3)CC2
M END
