Mol:FL6DDANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.9629 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6719 -1.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4969 -1.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -1.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1003 -1.8740 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
7 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
8 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 -4.9111 3.2054
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 3.4414
S SKP 8
ID FL6DDANI0001
KNApSAcK_ID C00009029
NAME 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
CAS_RN 76265-09-3
FORMULA C22H26O6
EXACTMASS 386.172938564
AVERAGEMASS 386.43824
SMILES c(c3)(ccc(c3)C(C(OC)1)Oc(c2CC=C(C)C)c(c(OC)cc2O)C(O)1)O
M END
