Mrv1533004161520062D 25 29 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 2.6370 -0.7999 0.0000 O 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 3.8635 -1.5331 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 5.1117 -0.8375 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 6.3600 -0.1420 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 6.3817 1.2868 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 7.6082 0.5536 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 8.8347 -0.1796 0.0000 C 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 9.7127 -1.1851 0.0000 C 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 8.4113 -0.8877 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 7.1849 -0.1545 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 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 3.4837 0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 0.6289 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 0 0 0 0 17 18 1 0 0 0 0 14 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 8 20 1 0 0 0 0 12 20 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 6 22 1 0 0 0 0 22 23 2 0 0 0 0 3 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > NP0137494 > NP-MRD > COC1=CC=C2CC3N(CCC4=CC5=C(OCO5)C=C34)CC2=C1OC > InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3 > VZTUIEROBZXUFA-UHFFFAOYSA-N > C20H21NO4 > 339.391 > 339.14705816 > 5 > 46 > 37.72145803107781 > 1 > 0 > 0 > 1 > 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene > 2.70 > 3.0865507193333337 > -3.83 > 0 > 5 > 0 > 4.902648773833444 > 40.160000000000004 > 94.196 > 2 > 1 > 4.98e-02 g/l > canadin > 0 > NP0137494 > Tetrahydroberberine $$$$