Mol:FLID1ANP0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.7961 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1272 0.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 0.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4291 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1272 1.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -0.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1213 -0.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 1.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -0.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -1.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 -1.1669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 -0.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 -1.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 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 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 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 11 2 0 0 0 0 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 14 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 S SKP 8 ID FLID1ANP0004 KNApSAcK_ID C00009664 NAME Folitenol CAS_RN 26992-37-0 FORMULA C25H26O4 EXACTMASS 390.18310931999997 AVERAGEMASS 390.47153999999995 SMILES C(C25)(c(c4O5)ccc(c43)OC(C)(C)C=C3)COc(c21)cc(O)c(c1)CC=C(C)C M END