Mol:FL2FALNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 36 0 0 0 0 0 0 0 0999 V2000
-2.4795 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4795 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 -1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 1.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9999 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9999 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5986 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4784 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4543 1.5310 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 0 0 0 0
9 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 13 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
19 24 1 0 0 0 0
20 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
27 28 1 0 0 0 0
28 26 1 0 0 0 0
25 29 1 0 0 0 0
25 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL2FALNR0001
KNApSAcK_ID C00008380
NAME Kuwanon D
CAS_RN 67172-84-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c61)c(cc(c1C(=O)CC(O6)c(c5O)cc(c(c5)2)C(C(C)(C)4)C(C43)C(CC3)(C)O2)O)O
M END
