Mol:LBST03010048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 10.0798 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0798 4.4065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2137 4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3477 4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3477 3.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3477 1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3477 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4817 -1.0935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3477 -1.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 -1.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 -1.4025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9344 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -2.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -2.3536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7702 -2.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 -3.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -3.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4817 -2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1861 -4.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -3.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -2.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9458 4.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1642 -4.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1363 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 22 23 1 0 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 23 31 1 0 0 0 0 S SKP 5 ID LBST03010048 FORMULA C28H44O3 EXACTMASS 428.329045274 AVERAGEMASS 428.64716 SMILES C(C(=CC=C(C3)C(=C)CC[C@@H]3O)1)CC[C@](C)([C@H]2[C@H](C)C=C[C@](C)(O)C(C)(C)O)[C@@H](CC2)1 M END