Mol:LBF20307PG37
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 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 2 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 3.6354 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 2 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 5 1 1 0 0 0 0 6 7 2 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 2 6 1 6 0 0 0 8 23 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 21 1 1 0 0 0 3 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 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 15 21 1 6 0 0 0 1 22 1 1 0 0 0 20 24 1 0 0 0 0 20 25 2 0 0 0 0 S SKP 5 ID LBF20307PG37 FORMULA C20H34O5 EXACTMASS 354.240624198 AVERAGEMASS 354.48096000000004 SMILES C(CC[C@H](O)C=C[C@H]([C@H]12)[C@H](O)C[C@H](O[C@H](C2)CCCCC(O)=O)1)CC M END