Mol:FL6FWXNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3687 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3687 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 0.0330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 1.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 0.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9058 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5939 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5466 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2488 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 -1.8248 0.0000 C 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
4 7 1 0 0 0 0
7 8 2 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
9 11 1 6 0 0 0
11 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 11 1 0 0 0 0
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 1 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -7.2253 5.2437
S SKP 8
ID FL6FWXNF0001
KNApSAcK_ID C00008793
NAME Hildgardtene
CAS_RN 104777-96-0
FORMULA C21H20O3
EXACTMASS 320.141244506
AVERAGEMASS 320.38169999999997
SMILES C(C=3)(c(c4)cccc4)Oc(c2C3)c(c1cc2OC)CC(O1)C(C)=C
M END
