Mol:LBF20407PG01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
5.7534 -0.3837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7534 -0.3837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4444 0.5674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2534 1.1552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0624 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6354 1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9444 2.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1656 -1.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5724 -2.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9846 -2.9152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3913 -3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8035 -4.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2103 -5.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6225 -6.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0292 -7.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 2.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 4.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 5.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 6.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9444 2.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3412 -1.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9901 -2.8107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 6.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 7.2739 0.0000 O 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 4 1 0 0 0 0
4 5 1 0 0 0 0
1 5 1 0 0 0 0
6 7 1 0 0 0 0
7 21 1 0 0 0 0
4 21 1 1 0 0 0
3 6 1 1 0 0 0
1 22 1 1 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
2 8 1 6 0 0 0
10 23 1 1 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
7 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 24 2 0 0 0 0
20 25 1 0 0 0 0
S SKP 5
ID LBF20407PG01
FORMULA C20H32O5
EXACTMASS 352.224974134
AVERAGEMASS 352.46508
SMILES C(CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](OC(C2)=CCCCC(O)=O)1)CC
M END
