Mol:FL63PTNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-0.8344 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8344 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 -1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9470 -0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9470 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 -1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5033 0.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9472 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9472 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 1.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8294 -1.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0176 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 -1.7663 0.0000 O 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 6 0 0 0
11 1 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 2 1 0 0 0 0
12 15 1 0 0 0 0
9 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 10 1 0 0 0 0
18 20 1 0 0 0 0
17 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
14 24 1 0 0 0 0
S SKP 8
ID FL63PTNM0001
KNApSAcK_ID C00009042
NAME (+)-8-Hydroxy-5,5-dimethylpeltogynan
CAS_RN 132125-04-3
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES C(c34)C(O2)C(Oc3cc(O)cc4O)c(c(C2(C)C)1)cc(O)c(O)c1
M END
