Mol:FL1DA9NC0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.0724 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0708 -0.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7865 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 -1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5010 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9300 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9300 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2157 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2157 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9303 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9303 3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5014 2.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 -2.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 -3.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3579 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0724 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7869 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5014 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 2.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9303 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9303 1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2158 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 1.0314 0.0000 O 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
5 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
11 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
17 20 2 0 0 0 0
1 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
4 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 27 1 0 0 0 0
24 33 2 0 0 0 0
S SKP 8
ID FL1DA9NC0013
KNApSAcK_ID C00014613
NAME Longicaudatin
CAS_RN 342882-02-4
FORMULA C26H22O7
EXACTMASS 446.136553058
AVERAGEMASS 446.44867999999997
SMILES C(c(c4)cccc4)CC(=O)c(c3O)c(o1)c(c(c3)OC)cc1c(c2)c(ccc(C(=O)OC)2)O
M END
