Mol:FL6FCANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
6 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
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 -2.4197 0.77
S SKP 8
ID FL6FCANM0001
KNApSAcK_ID C00008780
NAME 5,4'-Dihydroxy-7'-methoxy-8-methylflavan
CAS_RN 84638-52-8
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c1)c(C)c(O2)c(CC[C@H]2c(c3)ccc(O)c3)c(O)1
M END
