Mol:FL6DDANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.9629 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -0.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 -0.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7262 -1.4538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 -0.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 1.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7304 -1.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 -1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -1.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1003 -1.9004 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
8 17 1 1 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
20 1 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
7 25 1 1 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -5.7571 3.4313
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SBV 2 29 -5.7288 3.4150
S SKP 8
ID FL6DDANI0002
KNApSAcK_ID C00009030
NAME 4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
CAS_RN 72357-34-7
FORMULA C22H26O6
EXACTMASS 386.172938564
AVERAGEMASS 386.43824
SMILES c(c1)(ccc(C(C3O)Oc(c2CC=C(C)C)c(C3OC)c(OC)cc2O)c1)O
M END
