Mol:FL1DHYNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-2.5457 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 -0.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 -0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 -0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8467 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7700 0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8840 -1.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0994 0.6627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 -1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2198 -1.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3084 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 -0.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3850 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
3 18 1 0 0 0 0
9 19 1 0 0 0 0
14 20 1 0 0 0 0
12 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.3140 3.4381
S SKP 8
ID FL1DHYNS0001
KNApSAcK_ID C00007952
NAME Gliricidol
CAS_RN 72061-66-6
FORMULA C16H16O7
EXACTMASS 320.089602866
AVERAGEMASS 320.29404
SMILES COc(c(O)2)c(O)cc(c2)C(O)CC(=O)c(c1)c(O)cc(O)c1
M END
