Mol:LBST03020097
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 2.8660 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 2.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.0736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 -1.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -1.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6574 -1.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0175 -3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 -2.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1207 -4.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3776 -5.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7085 -4.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6345 -5.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 -1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0467 -5.9264 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 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 1 0 0 0 15 16 1 0 0 0 0 17 16 1 1 0 0 0 12 17 1 0 0 0 0 19 20 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 22 24 1 0 0 0 0 17 18 1 0 0 0 0 2 28 1 1 0 0 0 18 25 1 6 0 0 0 12 26 1 1 0 0 0 6 29 1 6 0 0 0 5 27 1 0 0 0 0 22 30 1 0 0 0 0 S SKP 5 ID LBST03020097 FORMULA C27H44O3 EXACTMASS 416.329045274 AVERAGEMASS 416.63646 SMILES C([C@]32C)CC=C([C@H](CC[C@H]([C@@H](CCCC(C)(C)O)C)3)2)C=CC(C1)=C(C)[C@@H](O)C[C@H](O)1 M END