Mol:FL64A9NF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3687 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3687 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9058 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5466 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5855 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2488 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1362 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5783 -1.8321 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 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
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 1 0 0 0 0
20 22 2 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
7 25 1 1 0 0 0
25 26 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 -8.5660 3.7721
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SBV 2 28 -8.5660 3.7721
S SKP 8
ID FL64A9NF0002
KNApSAcK_ID C00008985
NAME Methylhildgardtol A
CAS_RN 104777-97-1
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES C(C)(=C)C(C1)Oc(c2)c1c(O3)c(C(CC3c(c4)cccc4)OC)c2OC
M END
