Mrv1652309102203402D 26 29 0 0 1 0 999 V2000 -1.5766 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8037 -0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0752 -0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 -0.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 0.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 0.4953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3229 0.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7653 1.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 0.4214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9535 0.1957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8234 1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3795 0.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0663 0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4322 -0.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 -0.9938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3150 -1.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 -1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4366 -1.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -2.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 -0.6277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2295 -0.9276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0458 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 -2.2930 0.0000 O 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 1 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 22 11 1 1 0 0 0 22 23 1 0 0 0 0 4 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END > NP0293591 > NP-MRD > C[C@]12C[C@H](O)C[C@](C)([C@H]1[C@H](C(O)=O)C13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O > InChI=1S/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14-,17+,18+,19?,20-/m0/s1 > DBFXNHHIIKEXPP-FHVNKMPESA-N > C20H28O6 > 364.438 > 364.188588622 > 6 > 54 > 37.70539756199683 > 1 > 4 > 0 > 1 > (2S,3S,4R,6S,8R,9S,12S)-6,12-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid > 1.0399883206666676 > 0 > 4 > -2 > 4.684356219660647 > 4.014354769437866 > -0.9048846045134521 > 115.06000000000002 > 92.20009999999996 > 2 > 1 > (2S,3S,4R,6S,8R,9S,12S)-6,12-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid > 0 > NP0293591 > (2s,3s,4r,6s,8r,9s,12s)-6,12-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylic acid $$$$