Mol:FL1C98NI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 30 0 0 0 0 0 0 0 0999 V2000
3.3680 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3680 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4806 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4806 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2348 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7911 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6787 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1177 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6787 -1.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1177 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0124 0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0124 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 -0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 -1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5402 -0.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6141 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1666 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7192 1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2717 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8242 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3767 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4806 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9243 -1.3164 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
18 15 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
3 29 1 0 0 0 0
14 19 1 0 0 0 0
S SKP 8
ID FL1C98NI0001
KNApSAcK_ID C00007122
NAME Flemiwallichin E
CAS_RN 96657-92-0
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES Oc(c1)c(C=CC(=O)c(c2)c(O)c(c(c2)CC=C(C)CCC=C(C)C)O)ccc1
M END
