Mrv1652304282211252D 24 26 0 0 1 0 999 V2000 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3016 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 -1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 6 0 0 0 9 12 1 6 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 7 16 1 6 0 0 0 16 17 2 0 0 0 0 14 18 1 1 0 0 0 18 19 2 0 0 0 0 14 20 1 6 0 0 0 8 21 1 6 0 0 0 5 22 1 6 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 M END > NP0065155 > NP-MRD > CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@H]21)C=C > InChI=1S/C20H32O4/c1-7-18(4)11-12(21)14-19(5)10-8-9-17(2,3)15(19)13(22)16(23)20(14,6)24-18/h7,13-16,22-23H,1,8-11H2,2-6H3/t13-,14+,15-,16-,18-,19+,20-/m0/s1 > PNQDGVYRLQBNOL-GPRZKFDUSA-N > C20H32O4 > 336.472 > 336.23005951 > 4 > 56 > 37.805943053301036 > 1 > 2 > 0 > 1 > (3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-5,6-dihydroxy-3,4a,7,7,10a-pentamethyl-dodecahydro-1H-naphtho[2,1-b]pyran-1-one > 2.49 > 2.7373189239999993 > -3.55 > 0 > 3 > 0 > 14.723289452373812 > 12.974199026214656 > -3.3074679675573995 > 66.75999999999999 > 92.5551 > 1 > 1 > 9.45e-02 g/l > (3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-5,6-dihydroxy-3,4a,7,7,10a-pentamethyl-octahydronaphtho[2,1-b]pyran-1-one > 0 > NP0065155 > 1,9-Dideoxy-7-deacetylforskolin $$$$