Mrv1652309082208222D 25 28 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 2 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 1 0 0 0 0 0 0 0 0 0 -0.0966 1.2252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4824 1.9544 0.0000 O 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 2 0 0 0 0 0 0 0 0 0 1.9535 0.1957 0.0000 C 0 0 2 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 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 2.5875 -2.4139 0.0000 O 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 2.0061 -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 1 0 0 0 6 5 1 1 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 10 9 1 6 0 0 0 4 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 16 21 1 0 0 0 0 21 11 1 1 0 0 0 21 22 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M END > NP0263241 > NP-MRD > C[C@@]12CCC[C@](C)([C@H]1[C@H](C(O)=O)[C@@]13C[C@@H]([C@@H](O)C[C@H]21)C(=C)C3)C(O)=O > InChI=1S/C20H28O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13-,14-,15+,18+,19-,20+/m1/s1 > RVQCZHZIMZMGAD-JCRMMRNSSA-N > C20H28O5 > 348.439 > 348.193674002 > 5 > 53 > 37.17570625919606 > 1 > 3 > 0 > 1 > (1R,2S,3S,4R,8S,9R,11S,12R)-11-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid > 2.2772418156666676 > 0 > 4 > -2 > 4.784919812300731 > 4.11103699593961 > -0.8946243605750152 > 94.83 > 90.59499999999997 > 2 > 1 > (1R,2S,3S,4R,8S,9R,11S,12R)-11-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0^{1,9}.0^{3,8}]pentadecane-2,4-dicarboxylic acid > 0 > NP0263241 > (1r,2s,3s,4r,8s,9r,11s,12r)-11-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylic acid $$$$