Mol:LBF20403PG06
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
8.5559 -2.4062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2469 -1.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0559 -0.8674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7469 0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 0.0837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5559 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8650 -1.4552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8160 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5592 -1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5102 -1.5063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2534 -2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2044 -1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9476 -2.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8986 -2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6418 -2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 0.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4379 -0.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1437 -3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7181 -0.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 1 6 0 0 0
4 5 1 0 0 0 0
5 21 1 6 0 0 0
2 21 1 6 0 0 0
2 6 1 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
3 7 1 0 0 0 0
1 22 1 6 0 0 0
7 8 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
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
10 23 1 6 0 0 0
5 16 1 0 0 0 0
16 17 2 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 1 0 0 0 0
20 25 2 0 0 0 0
S SKP 5
ID LBF20403PG06
FORMULA C20H30O5
EXACTMASS 350.20932407
AVERAGEMASS 350.4492
SMILES C(=CC[C@@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@@H](C2)C=CCCC(O)=O)1)CC
M END
