Mol:FL5FADNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-0.1857 -1.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1809 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5013 -1.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2326 -1.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2536 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5359 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6476 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9506 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 0.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6129 -1.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9190 -1.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3916 0.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3730 0.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6535 1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 0.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9057 -2.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5146 -2.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9536 -1.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3219 0.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0907 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 1.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5828 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2972 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2526 -1.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8913 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5633 -1.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5633 -2.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0907 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 -0.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0854 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
11 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL5FADNI0002
KNApSAcK_ID C00013525
NAME Dorsmanin D;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 211255-16-2
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES C(=C(C)C)Cc(c1O)c(O)c(C3=O)c(OC(=C3O)c(c2)cc(OC)c(O)c2)c1CC=C(C)C
M END
