Mol:FL1CA9NF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.5728 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4297 0.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7140 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5728 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5728 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8584 3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1442 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9304 -1.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5728 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8584 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4031 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 5 1 0 0 0 0
6 4 1 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
10 15 1 0 0 0 0
15 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 1 0 0 0 0
6 27 1 1 0 0 0
5 28 1 1 0 0 0
4 29 1 1 0 0 0
3 32 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
4 33 1 6 0 0 0
S SKP 8
ID FL1CA9NF0005
KNApSAcK_ID C00014449
NAME (-)-Linderol A;Linderol A
CAS_RN 166983-85-3
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES c(c4)c(ccc4)C=CC(=O)c(c12)c(cc(OC)c(C(C3CCC)([H])C(C(CC3)(C)O)([H])O2)1)O
M END
