Mrv1652309122213592D 29 31 0 0 0 0 999 V2000 6.5396 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4088 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0809 -0.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 0.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 1.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 0.4562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2614 -0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 -0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 -1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 -2.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -1.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 -2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 -2.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 -1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6388 -1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 0.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 0.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 1.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 1.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 0.8347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9336 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 1.4025 0.0000 O 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 2 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 4 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 16 14 1 4 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 17 1 4 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 25 1 4 0 0 0 27 28 2 0 0 0 0 9 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > NP0328485 > NP-MRD > CC1CC2=C(C3CC(O)(N2)C(C)N=C(O)C=CC(O)CCC(C)N=C3O)C(O)=N1 > InChI=1S/C20H30N4O5/c1-10-4-5-13(25)6-7-16(26)23-12(3)20(29)9-14(18(27)21-10)17-15(24-20)8-11(2)22-19(17)28/h6-7,10-14,24-25,29H,4-5,8-9H2,1-3H3,(H,21,27)(H,22,28)(H,23,26) > USZPQXPTZZQXAO-UHFFFAOYSA-N > C20H30N4O5 > 406.483 > 406.221620082 > 9 > 59 > 42.07548690500645 > 1 > 6 > 0 > 0 > 2,10,17-trimethyl-3,11,16,20-tetraazatricyclo[11.7.1.0^{14,19}]henicosa-3,5,11,14(19),15-pentaene-1,4,7,12,15-pentol > -5.049271596170187 > 0 > 3 > 0 > -1.771522251667311 > -4.320780630920429 > 15.758394164258485 > 150.26000000000002 > 109.34240000000001 > 0 > 0 > 2,10,17-trimethyl-3,11,16,20-tetraazatricyclo[11.7.1.0^{14,19}]henicosa-3,5,11,14(19),15-pentaene-1,4,7,12,15-pentol > 0 > NP0328485 > 2,10,17-trimethyl-3,11,16,20-tetraazatricyclo[11.7.1.0¹⁴,¹⁹]henicosa-3,5,11,14(19),15-pentaene-1,4,7,12,15-pentol $$$$