Compound 16 CDK 0719191930 32 36 0 0 0 0 0 0 0 0999 V2000 -0.7421 1.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 0.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 -0.0165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4802 -0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 0.4118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0436 -0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 0.0098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6615 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6615 -1.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 0.4382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3666 -0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0453 -0.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 -1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 1.2816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7966 0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1903 -0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 1.7034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5017 0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 1.3014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9349 2.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0947 1.8681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7521 2.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8987 1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 2.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 1 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 1 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 6 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 6 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 29 1 6 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 8 11 1 0 0 0 0 12 14 1 0 0 0 0 19 16 1 6 0 0 0 24 23 1 6 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:144131 > 22-Hydroxy-1-hopanone > 2 > C30H50O2 > 442.718 > 442.381 > 0 > O=C1[C@@]2([C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@H]([C@@H](C(O)(C)C)CC5)CC4)C)CC3)C)(CCC2C(C)(C)CC1)C)C > InChI=1S/C30H50O2/c1-25(2)15-14-24(31)30(8)21(25)13-18-29(7)23(30)10-9-22-27(5)16-11-19(26(3,4)32)20(27)12-17-28(22,29)6/h19-23,32H,9-18H2,1-8H3/t19-,20-,21?,22+,23-,27-,28+,29+,30-/m0/s1 > OFMYBLNHEMHCAO-LISTXKHRSA-N $$$$