Mol:LBF21406CV04
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 32 0 0 0 0 0 0 0 0999 V2000 8.9664 0.3466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6574 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 -1.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 -0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9664 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7063 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0154 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8074 1.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8564 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 2.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4895 4.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 5.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4984 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5474 -2.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -3.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3884 -3.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -3.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8324 1.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6985 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 -2.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9664 1.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5371 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8324 2.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -1.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -4.1059 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 1 5 1 0 0 0 0 2 6 2 0 0 0 0 1 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 3 26 2 0 0 0 0 1 27 1 1 0 0 0 6 15 1 0 0 0 0 15 16 2 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 17 28 1 1 0 0 0 27 21 1 0 0 0 0 21 22 1 0 0 0 0 21 29 2 0 0 0 0 28 23 1 0 0 0 0 23 24 1 0 0 0 0 23 30 2 0 0 0 0 20 31 1 0 0 0 0 20 32 2 0 0 0 0 31 25 1 0 0 0 0 S SKP 5 ID LBF21406CV04 FORMULA C25H34O7 EXACTMASS 446.230453442 AVERAGEMASS 446.53326000000004 SMILES O(C(C)=O)[C@@](C1=CC=C[C@@H](CCC(OC)=O)OC(C)=O)(CC=CCCCCC)C=CC1=O M END