Mol:FL1C28NP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
3.0866 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1992 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9534 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5097 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 -1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8364 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2689 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3740 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6429 -1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9253 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0022 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1025 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1992 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 0.6309 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
20 19 1 0 0 0 0
3 21 1 0 0 0 0
20 22 1 0 0 0 0
14 23 1 0 0 0 0
20 23 1 0 0 0 0
24 25 1 0 0 0 0
25 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
20 24 1 0 0 0 0
13 30 1 0 0 0 0
1 31 1 0 0 0 0
S SKP 8
ID FL1C28NP0003
KNApSAcK_ID C00007153
NAME Flemingin B
CAS_RN 18361-42-7
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES C(CC(C=3)(Oc(c1C3)c(cc(C(=O)C=Cc(c2O)c(ccc2)O)c(O)1)O)C)C=C(C)C
M END
