Mol:BMCCCC--q030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 1 0 999 V2000 14.2365 -15.3633 0.0000 C 0 0 0 0 0 0 0 0 0 14.9384 -15.7635 0.0000 C 0 0 0 0 0 0 0 0 0 13.5526 -15.7669 0.0000 C 0 0 2 0 0 0 0 0 0 14.2296 -14.5668 0.0000 C 0 0 0 0 0 0 0 0 0 15.6085 -15.3426 0.0000 C 0 0 0 0 0 0 0 0 0 14.9384 -16.5634 0.0000 C 0 0 0 0 0 0 0 0 0 13.5388 -16.5350 0.0000 C 0 0 1 0 0 0 0 0 0 12.8508 -15.3701 0.0000 C 0 0 0 0 0 0 0 0 0 13.5057 -14.9305 0.0000 C 0 0 0 0 0 0 0 0 0 14.9315 -14.1638 0.0000 C 0 0 0 0 0 0 0 0 0 15.6189 -14.5599 0.0000 C 0 0 2 0 0 0 0 0 0 17.0046 -15.3426 0.0000 C 0 0 0 0 0 0 0 0 0 14.2434 -16.9706 0.0000 C 0 0 0 0 0 0 0 0 0 12.8576 -16.9775 0.0000 C 0 0 3 0 0 0 0 0 0 12.1599 -15.7738 0.0000 C 0 0 0 0 0 0 0 0 0 16.3172 -14.1492 0.0000 C 0 0 2 0 0 0 0 0 0 15.5664 -13.7227 0.0000 C 0 0 0 0 0 0 0 0 0 17.0115 -14.5530 0.0000 C 0 0 0 0 0 0 0 0 0 12.1634 -16.5814 0.0000 C 0 0 2 0 0 0 0 0 0 12.3996 -17.6780 0.0000 C 0 0 0 0 0 0 0 0 0 13.1917 -17.7531 0.0000 C 0 0 0 0 0 0 0 0 0 16.3138 -13.3184 0.0000 C 0 0 1 0 0 0 0 0 0 11.4401 -16.9982 0.0000 O 0 0 0 0 0 0 0 0 0 17.0336 -12.8932 0.0000 C 0 0 0 0 0 0 0 0 0 15.5913 -12.9001 0.0000 C 0 0 0 0 0 0 0 0 0 17.7561 -13.3073 0.0000 C 0 0 0 0 0 0 0 0 0 18.4753 -12.8898 0.0000 C 0 0 0 0 0 0 0 0 0 19.1978 -13.3039 0.0000 C 0 0 0 0 0 0 0 0 0 19.9169 -12.8829 0.0000 C 0 0 0 0 0 0 0 0 0 19.2013 -14.1355 0.0000 C 0 0 0 0 0 0 0 0 0 13.5878 -17.2473 0.0000 H 0 0 0 0 0 0 0 0 0 17.1038 -14.0659 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 1 0 0 0 3 9 1 1 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 2 0 0 0 6 13 1 0 0 0 7 14 1 0 0 0 8 15 1 0 0 0 11 16 1 0 0 0 11 17 1 1 0 0 12 18 1 0 0 0 14 19 1 0 0 0 14 20 1 0 0 0 14 21 1 0 0 0 16 22 1 0 0 0 19 23 1 1 0 0 22 24 1 0 0 0 22 25 1 6 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 7 13 1 0 0 0 10 11 1 0 0 0 15 19 1 0 0 0 16 18 1 0 0 0 7 31 1 6 0 0 16 32 1 6 0 0 S SKP 6 NAME 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol ID BMCCCC--q030 FORMULA C29H46O EXACTMASS 410.354866094 AVERAGEMASS 410.67493999999994 SMILES C(=C14)C[C@]([C@@](C)(CCC(=C24)[C@@](C)(C3)[C@@](C([C@H](C3)O)(C)C)([H])CC2)1)([H])[C@@H](CCC=C(C)C)C M END