Mrv1652309042212292D 24 27 0 0 1 0 999 V2000 5.2939 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -1.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1827 -0.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1807 -1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -0.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 -1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0584 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7114 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7927 0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 6 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 6 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 6 0 0 0 7 20 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 6 0 0 0 4 22 1 1 0 0 0 22 23 1 0 0 0 0 2 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0193127 > NP-MRD > CC1=C2[C@@H](CC3=C(CC[C@@H]4[C@](C)(CO)CCC[C@@]34C)[C@H]2O)OC1=O > InChI=1S/C20H28O4/c1-11-16-14(24-18(11)23)9-13-12(17(16)22)5-6-15-19(2,10-21)7-4-8-20(13,15)3/h14-15,17,21-22H,4-10H2,1-3H3/t14-,15-,17-,19+,20+/m1/s1 > YTFCPUQQLYHDRF-CTZQRVGRSA-N > C20H28O4 > 332.44 > 332.198759382 > 3 > 52 > 37.41836743886138 > 1 > 2 > 0 > 1 > (2R,6R,7S,11R,16R)-11-hydroxy-6-(hydroxymethyl)-2,6,13-trimethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),12-dien-14-one > 2.176568038333333 > 0 > 4 > 0 > 14.449072289791037 > 12.319756046278311 > -1.2013809059198066 > 66.75999999999999 > 91.8405 > 1 > 1 > (2R,6R,7S,11R,16R)-11-hydroxy-6-(hydroxymethyl)-2,6,13-trimethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),12-dien-14-one > 0 > NP0193127 > (4r,4as,7r,10ar,11br)-7-hydroxy-4-(hydroxymethyl)-4,8,11b-trimethyl-1h,2h,3h,4ah,5h,6h,7h,10ah,11h-phenanthro[3,2-b]furan-9-one $$$$