Mol:FL3FRNND0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 47 0 0 0 0 0 0 0 0999 V2000
-0.1508 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1508 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5797 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5797 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9927 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7071 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7071 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9927 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4216 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7071 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9927 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9917 -0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9942 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9942 -1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8189 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0130 1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2942 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0086 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0086 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2942 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3944 0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5332 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8652 0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5777 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5777 1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9305 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2347 2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8788 1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6025 2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8189 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 1.2353 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 11 2 0 0 0 0
10 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
5 9 2 0 0 0 0
11 10 1 0 0 0 0
4 12 1 0 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 7 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
20 25 1 0 0 0 0
17 21 1 0 0 0 0
14 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
18 26 1 0 0 0 0
11 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 10 1 0 0 0 0
28 31 1 0 0 0 0
28 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
S SKP 8
ID FL3FRNND0003
KNApSAcK_ID C00013487
NAME Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one
CAS_RN 223386-73-0
FORMULA C35H38O7
EXACTMASS 570.26175357
AVERAGEMASS 570.67202
SMILES C(C)(=CCc(c56)c(c(c(c(C=CC(C)(C)O6)5)O)4)OC(=C(C4=O)3)c(c21)c(O)cc(O)c1OC(C2C3)(C)C)CCC=C(C)C
M END
