Mol:LBF21406CV14
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 26 0 0 0 0 0 0 0 0999 V2000 7.8959 0.2044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5869 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3959 -1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8959 0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -1.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -2.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -3.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -3.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -4.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -4.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8959 1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 2.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 3.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6280 4.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4940 4.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4940 5.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3600 6.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3959 -2.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9449 0.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1560 -1.0557 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -5.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -4.2481 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 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 1 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 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 19 20 1 0 0 0 0 3 22 2 0 0 0 0 1 23 1 6 0 0 0 4 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 2 0 0 0 0 25 21 1 0 0 0 0 S SKP 5 ID LBF21406CV14 FORMULA C21H29IO4 EXACTMASS 472.111052416 AVERAGEMASS 472.35732999999993 SMILES C(C(=CC=CCCCC(OC)=O)1)(C(=C[C@@](O)1CC=CCCCCC)I)=O M END