Mrv1652309122216142D 24 25 0 0 1 0 999 V2000 -0.0980 -1.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.5558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8125 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -0.1433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5236 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 0.4887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8986 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 0.7752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6182 1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5842 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3966 -0.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 0.2865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4913 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1485 0.9185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7616 1.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0337 1.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -0.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 -0.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 1 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END > NP0329655 > NP-MRD > C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CC[C@@H](O)[C@@]2(C)O)CC(O)=O > InChI=1S/C20H36O4/c1-13(12-17(22)23)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16(21)20(19,5)24/h13-16,21,24H,6-12H2,1-5H3,(H,22,23)/t13-,14-,15-,16-,18+,19-,20-/m1/s1 > HXWFNTAOIMPSJN-LQOGROGESA-N > C20H36O4 > 340.504 > 340.261359639 > 4 > 60 > 39.2009152827587 > 1 > 3 > 0 > 1 > (3R)-5-[(1S,2R,4aR,5S,6R,8aR)-5,6-dihydroxy-1,2,4a,5-tetramethyl-decahydronaphthalen-1-yl]-3-methylpentanoic acid > 3.5609080283333343 > 0 > 2 > -1 > 13.493743692815823 > 4.72935054093587 > -3.238403680032209 > 77.76 > 94.28359999999996 > 5 > 1 > (3R)-5-[(1S,2R,4aR,5S,6R,8aR)-5,6-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid > 0 > NP0329655 > (3r)-5-[(1s,2r,4ar,5s,6r,8ar)-5,6-dihydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]-3-methylpentanoic acid $$$$