Mol:FL5FFANS0020
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.5449 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5449 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6803 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8033 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8033 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9886 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5339 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0024 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5339 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9371 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4703 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9371 0.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0922 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2658 0.3751 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
15 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -1.9022 0.4683
S SKP 8
ID FL5FFANS0020
KNApSAcK_ID C00004925
NAME Pollenitin 8-butyrate
CAS_RN 69306-83-8
FORMULA C20H18O8
EXACTMASS 386.100167552
AVERAGEMASS 386.35212
SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c(O)2)c1c(c(c2)OC)OC(=O)CCC)=O)O
M END
</pre>
