Mol:LBF28109SC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 29 0 0 0 0 0 0 0 0999 V2000 1.7078 0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 0.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 1.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1028 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2255 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 0.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5612 0.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 0.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8922 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8922 -0.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 -1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6039 -0.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 -0.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3946 -1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0271 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6858 -1.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 -0.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 -0.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 -1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 -0.6387 0.0000 C 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 2 4 2 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 14 15 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 25 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 0 0 0 0 28 20 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 S SKP 5 ID LBF28109SC01 FORMULA C28H54O2 EXACTMASS 422.412380972 AVERAGEMASS 422.72716 SMILES C(CCCCCCC=CCCCCCCCC)CCCCCCCCCCC(O)=O M END