Mol:Holostane
From Metabolomics.JP
Copyright: ARM project http://www.metabolomics.jp/ 32 36 0 0 1 0 0 0 0 0 31 V2000 22.1222 -9.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9705 -10.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9705 -11.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1222 -12.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2741 -11.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4259 -12.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5778 -11.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5778 -10.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4259 -9.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2741 -10.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4260 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5778 -7.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7297 -8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7297 -9.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0834 -9.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7763 -8.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0611 -7.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0680 -7.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2750 -9.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0612 -6.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0652 -5.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2130 -5.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3649 -6.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5167 -5.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6686 -6.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8204 -5.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6686 -7.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0081 -13.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3252 -13.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7330 -10.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8882 -6.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4030 -6.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 7 8 1 0 0 0 0 6 7 1 0 0 0 0 10 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 11 12 1 0 0 0 0 9 8 1 0 0 0 0 9 11 1 0 0 0 0 4 28 1 6 0 0 0 4 29 1 1 0 0 0 14 30 1 6 0 0 0 10 19 1 1 0 0 0 17 13 1 0 0 0 0 14 13 1 0 0 0 0 16 17 1 0 0 0 0 15 14 1 0 0 0 0 15 16 1 0 0 0 0 22 23 1 0 0 0 0 20 22 1 0 0 0 0 17 20 1 0 0 0 0 24 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 27 25 1 0 0 0 0 20 21 1 6 0 0 0 20 31 1 0 0 0 0 18 31 1 0 0 0 0 18 32 2 0 0 0 0 18 13 1 0 0 0 0 S SKP 6 AUTODRAW false ID Holostane FORMULA C30H50O2 EXACTMASS 442.381080844 AVERAGEMASS 442.71680000000003 SMILES C(C)(C)CCCC(O5)(C)C(C41C(=O)5)CCC1(C(C2)C(CC4)C(C)(C3)C(C(CC3)(C)C)C2)C M END