Mol:FL1C18NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
3.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0660 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6223 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9489 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9489 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8103 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8719 -0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0924 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3118 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 1.2845 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
14 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
21 18 1 0 0 0 0
21 24 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
6 30 1 0 0 0 0
S SKP 8
ID FL1C18NP0001
KNApSAcK_ID C00007140
NAME Flemiwallichin D
CAS_RN 96657-91-9
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES Oc(c3)c(cc(c3)O)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O
M END
