Mol:FLIF1LNF0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.8722 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 -0.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 0.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3159 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3530 -0.4722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3530 0.1702 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2033 0.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -1.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 -1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 -0.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5039 -0.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 -1.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 0.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9093 0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 1.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 1.1868 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.3496 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4094 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0890 2.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0501 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7931 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0865 -1.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8010 -2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0987 -1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0987 -1.4801 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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
13 27 1 0 0 0 0
27 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 2.3356 -1.6863
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 1.0865 -1.995
S SKP 8
ID FLIF1LNF0008
KNApSAcK_ID C00009577
NAME Dalpanol;6',7'-Dihydro-6'-hydroxyrotenone
CAS_RN 30462-22-7
FORMULA C23H24O7
EXACTMASS 412.152203122
AVERAGEMASS 412.43246
SMILES c(c51)c(c(OC)cc(OCC(C45)Oc(c3C(=O)4)c(c(cc3)2)CC(C(C)(C)O)O2)1)OC
M END
