Mol:FL3FALNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.2003 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2003 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0877 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0877 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 -0.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5810 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 0.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7149 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5810 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 0.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6440 -0.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3125 0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8674 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 1.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5810 -0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1479 0.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5702 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1304 -1.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1196 -1.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7013 -0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2742 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2817 -0.7128 0.0000 C 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
25 13 1 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
22 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL3FALNI0001
KNApSAcK_ID C00004021
NAME Brosimone I;(E)-(+)-3,8,10-Trihydroxy-9-(3-methyl-1-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 123064-86-8
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES CC(C)C=Cc(c(O)1)c(c(C2=O)c(OC(c43)=C2C(C=C(C)C)Oc3cc(O)cc4)c1)O
M END
