Mol:FL4DADNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.8794 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8794 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 -0.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2041 -0.2233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3167 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8320 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3540 0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2381 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3915 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5711 1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 1 0 0 0
6 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
17 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 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.5711 1.5811
S SKP 8
ID FL4DADNI0001
KNApSAcK_ID C00008640
NAME 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
CAS_RN 104696-10-8
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES c(c12)(cc(O)c(c1O[C@H](c(c3)cc(c(O)c3)OC)[C@H](C2=O)O)CC=C(C)C)O
M END
