Mol:FL4DF9NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0129 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2994 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0080 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2902 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4205 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4169 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1386 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8503 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8449 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1295 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5593 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2747 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9883 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9832 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2681 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5552 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1386 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2902 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7274 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2994 1.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9506 1.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7594 -1.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5060 -0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 -1.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2962 -1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9883 -0.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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 2 0 0 0 0
4 18 1 0 0 0 0
8 20 1 1 0 0 0
1 19 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL4DF9NI0001
KNApSAcK_ID C00014380
NAME Dioclenol;3,5,7-Trihydroxy-8-methoxy-6-prenylflavanone
CAS_RN 197379-44-5
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES COc(c31)c(c(CC=C(C)C)c(c1C(C(O)C(O3)c(c2)cccc2)=O)O)O
M END
