Mol:FLIFHXNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0573 0.1649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 1.1283 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6136 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1000 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4987 1.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6762 -1.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 -1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6883 -0.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1398 2.2920 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 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
9 17 1 0 0 0 0
7 18 2 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -2.6398 1.426
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 1.9253 -1.0492
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 0.6762 -1.3579
S SKP 8
ID FLIFHXNS0003
KNApSAcK_ID C00009975
NAME Dihydrostemonal;6,11-Dihydroxy-2,3,9-trimethoxyrotenone
CAS_RN 125164-60-5
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c4OC)(OC)cc(c(c4)1)OC(C(O2)C(C(c(c(O)3)c2cc(OC)c3)=O)1)O
M END
