Mrv1652310081702362D 26 30 0 0 0 0 999 V2000 2.2354 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 -1.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 -1.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2066 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3817 1.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -0.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4331 0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5864 -0.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7127 -1.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6082 0.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1117 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1849 -0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 -0.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4113 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 -0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1335 0.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9584 0.5787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 1.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 -0.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6389 -0.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 -1.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 3 2 0 0 0 0 6 5 1 0 0 0 0 11 5 1 0 0 0 0 11 8 2 0 0 0 0 12 3 1 0 0 0 0 12 7 1 0 0 0 0 13 9 2 0 0 0 0 13 11 1 0 0 0 0 14 7 2 0 0 0 0 14 13 1 0 0 0 0 15 4 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 17 16 2 0 0 0 0 18 12 2 0 0 0 0 19 15 2 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 6 1 0 0 0 0 21 14 1 0 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 23 1 1 0 0 0 0 23 15 1 0 0 0 0 24 2 1 0 0 0 0 24 19 1 0 0 0 0 25 10 1 0 0 0 0 25 16 1 0 0 0 0 26 10 1 0 0 0 0 26 17 1 0 0 0 0 M END > NP0289649 > NP-MRD > COC1=C(OC)C2=C(C=C1)C=C1N(CCC3=CC4=C(OCO4)C=C13)C2O > InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3 > ZRBGFWOXAQPDTH-UHFFFAOYSA-N > C20H19NO5 > 353.374 > 353.126322716 > 6 > 45 > 37.77966992039305 > 1 > 1 > 0 > 1 > 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol > 2.36 > 2.4727701746666666 > -3.01 > 0 > 5 > 0 > 12.451034087147278 > -0.05212277677647725 > 60.390000000000015 > 96.71929999999999 > 2 > 1 > 3.45e-01 g/l > 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-ol > 0 > NP0289649 > 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),2,4(8),9,15,17,19-heptaen-14-ol $$$$