Mol:FL6DBANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 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
0.7262 -1.4274 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
-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
8 18 1 1 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
21 1 1 0 0 0 0
20 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
14 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -5.7288 3.4414
S SKP 8
ID FL6DBANI0001
KNApSAcK_ID C00009027
NAME 5-O-Methyl-8-prenylafzelechin-4beta-ol
CAS_RN 76319-12-5
FORMULA C21H24O6
EXACTMASS 372.1572885
AVERAGEMASS 372.41166
SMILES c(c3)c(ccc(O)3)C(O2)C(C(c(c21)c(cc(O)c1CC=C(C)C)OC)O)O
M END
