Mol:FL3F19NF0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 33 0 0 0 0 0 0 0 0999 V2000
-0.7652 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3782 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3156 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6432 1.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2918 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5031 2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6258 1.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2133 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 2.0102 0.0000 C 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
26 28 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL3F19NF0006
KNApSAcK_ID C00013466
NAME (-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 51787-32-7
FORMULA C23H20O6
EXACTMASS 392.125988372
AVERAGEMASS 392.4013
SMILES C(C21)(c(c43)c(ccc(C(C=C(c(c5)cccc5)O4)=O)3)O2)C(C(O1)(C)C)OC(C)=O
M END
