Ketcher 05161713372D 1 1.00000 0.00000 0 39 39 0 0 0 999 V2000 21.6693 -5.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2263 -7.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3602 -8.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4942 -7.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6282 -8.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7622 -7.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8961 -8.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0301 -7.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8960 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0300 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7620 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1641 -8.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6280 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2981 -7.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2979 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4941 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 -8.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4319 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3600 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5661 -7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5659 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2261 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -8.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6998 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0058 -6.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6748 -5.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0921 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -7.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8339 -6.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1966 -5.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4535 -4.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1748 -4.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 -8.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1019 -7.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9678 -6.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 -6.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2358 -6.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 -8.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 7 1 0 0 0 10 9 1 0 0 0 11 9 1 0 0 0 12 8 1 0 0 0 13 10 1 0 0 0 14 11 1 0 0 0 15 12 1 0 0 0 16 13 1 0 0 0 17 14 1 0 0 0 18 15 1 0 0 0 19 16 1 0 0 0 20 17 1 0 0 0 21 18 1 0 0 0 22 19 1 0 0 0 23 20 1 0 0 0 24 21 1 0 0 0 25 22 1 0 0 0 27 1 1 0 0 0 27 26 1 0 0 0 28 23 1 0 0 0 28 26 2 0 0 0 29 24 1 0 0 0 30 25 1 0 0 0 31 28 1 0 0 0 32 31 2 0 0 0 33 27 1 0 0 0 33 31 1 0 0 0 34 29 1 0 0 0 35 34 1 0 0 0 36 30 1 0 0 0 37 35 1 0 0 0 37 36 1 0 0 0 37 38 1 0 0 0 35 39 1 0 0 0 M END > CHEBI:134012 > artemoin C > An artemoin in which the two hydroxy groups on the C-30 side-chain are located at positions 15 and 16. > 3 > 3-(15,16-Dihydroxytriacontyl)-5-methyl-2(5H)-furanone > 3-(15,16-dihydroxytriacontyl)-5-methylfuran-2(5H)-one > C35H66O4 > 550.897 > 550.49611 > 0 > CC1C=C(CCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)O)O)C(=O)O1 > InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3 > MBDVKGSWKNHBQZ-UHFFFAOYSA-N > 8301083 $$$$