Mol:FLIDBANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-1.4954 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4954 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 -1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 -0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 0.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1794 -0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 1.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 -0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 1.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0697 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0697 -1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3755 -0.3956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 -0.8081 0.0000 C 0 0 0 0 0 0 0 0 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -5.8670 4.2392
S SKP 8
ID FLIDBANP0001
KNApSAcK_ID C00009653
NAME Edulenanol
CAS_RN 76165-14-5
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES O(C)c(c41)c(C=5)c(OC(C5)(C)C)cc1OCC(C34)c(c2)c(O3)cc(O)c2
M END
