Mol:LBST03010050
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 10.3888 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3888 4.4969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5227 4.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 4.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 3.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7907 2.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 1.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 1.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7907 -0.0031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6567 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7907 -1.0031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6567 -1.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 -1.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5227 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8396 0.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2519 -0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8396 -1.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2435 -3.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 -2.2632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6180 -3.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -3.8379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2653 -3.6300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7907 -2.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -4.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 -3.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 4.9969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 -4.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9969 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 0 0 0 0 1 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 10 16 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 12 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 23 22 1 4 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 18 21 1 0 0 0 0 12 25 1 1 0 0 0 23 26 1 0 0 0 0 21 27 1 6 0 0 0 2 29 1 6 0 0 0 24 28 1 6 0 0 0 24 30 1 1 0 0 0 26 31 1 0 0 0 0 S SKP 5 ID LBST03010050 FORMULA C28H44O3 EXACTMASS 428.329045274 AVERAGEMASS 428.64716 SMILES C[C@](C3)([C@H](C(CC3)=CC=C(C2)C(=C)CC[C@@H]2O)1)[C@H](CC1)[C@@H](C=C[C@](C(C)CO)(C)O)C M END