Mol:FL3FRNNR0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.0559 -0.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0512 0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3730 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3777 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6656 0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8067 0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0945 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7580 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4801 0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4848 -0.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 -1.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5157 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5129 1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8005 1.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0915 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7750 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6539 -2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2273 1.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0852 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 -0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0852 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7346 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7346 -2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4509 -1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7580 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1993 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1842 2.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7553 2.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2250 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9174 -0.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6246 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6246 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2273 -0.8415 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
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
14 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 7 1 0 0 0 0
8 5 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
9 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
29 10 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
11 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL3FRNNR0004
KNApSAcK_ID C00013500
NAME Artelastin;3,8,10-Trihydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 182052-05-7
FORMULA C30H32O6
EXACTMASS 488.219888756
AVERAGEMASS 488.57148
SMILES C(=C41)(C(c(c3O4)c(c(CC=C(C)C)c(c(CC=C(C)C)3)O)O)=O)C(Oc(c2)c1ccc2O)C=C(C)C
M END
