Mol:FLIFHXNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.0088 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8962 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9621 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9621 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3399 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3737 0.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 -0.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4963 1.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4963 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4525 -0.7189 0.0000 O 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
16 19 1 0 0 0 0
19 17 1 0 0 0 0
8 20 1 0 0 0 0
21 1 1 0 0 0 0
15 22 1 0 0 0 0
3 23 1 0 0 0 0
S SKP 8
ID FLIFHXNS0005
KNApSAcK_ID C00009982
NAME (-)-4,9,11,12a-Tetrahydroxyrotenone
CAS_RN 106915-82-6
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES Oc(c4)cc(O3)c(c(O)4)C(=O)C(O)(C23)c(c1)c(OC2)c(O)cc1
M END
