Mol:LBST03010062
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 8.9047 1.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 0.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0387 -0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 0.1070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1727 1.1070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0387 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 1.4161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9126 2.3671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9344 2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0387 -1.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 -1.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0387 -3.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0387 -4.3930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9047 -4.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7707 -4.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7707 -3.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6368 -2.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 3.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 3.7340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6691 3.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 4.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 3.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6368 -4.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 -4.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 4.7121 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 6 1 1 0 0 0 1 6 1 0 0 0 0 4 7 1 6 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 5 9 1 0 0 0 0 10 11 1 0 0 0 0 3 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 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 14 19 1 0 0 0 0 5 20 1 6 0 0 0 18 29 1 1 0 0 0 16 30 1 6 0 0 0 19 21 2 0 0 0 0 11 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 9 10 1 0 0 0 0 10 27 1 1 0 0 0 23 28 1 1 0 0 0 23 31 1 6 0 0 0 S SKP 5 ID LBST03010062 FORMULA C28H44O3 EXACTMASS 428.329045274 AVERAGEMASS 428.64716 SMILES C(C)(C)[C@@](C=C[C@@H](C)[C@H]([C@@](C)31)CC[C@H]1C(CCC3)=CC=C(C(=C)2)C[C@H](C[C@H](O)2)O)(C)O M END