76314940 -OEChem-07311912563D 55 60 0 1 0 0 0 0 0999 V2000 0.2721 -0.8179 0.7608 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 1.3957 0.3348 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1729 -3.6943 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1527 0.0296 -1.5371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 2.0825 0.1354 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.6692 0.6681 0.5451 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0017 1.3509 -0.7894 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5504 1.2974 -0.9485 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1712 0.5665 0.9077 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4596 1.2765 1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -0.7552 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -0.2094 -1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 2.7100 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9509 1.4827 1.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -1.2182 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 -1.5423 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 1.5418 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 2.5312 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5875 2.3536 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 -2.5918 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9061 -2.8991 0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 -3.4298 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 0.6029 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 -5.0874 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 0.4939 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 1.5551 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8117 -0.6686 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 1.4539 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 -0.7699 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 0.2915 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 0.7681 -1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 1.7777 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0219 0.7908 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 2.2526 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 0.6513 2.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1183 -0.4619 -2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0409 -0.3409 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 3.4392 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 3.1212 -1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 0.5309 1.5584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 2.1445 2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 3.2413 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 2.8348 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9661 3.0545 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2088 1.4534 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 -3.0142 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 -4.4836 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9739 -5.5712 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 -5.2620 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 -5.5444 0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 2.4777 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3124 -1.5055 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 2.2813 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7158 -1.6751 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 0.2130 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 17 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > DB15465 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VPMRSLWWUXNYRY-NDOYXKHWSA-N/SDF?record_type=3d > [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC=C2OC(=O)C1=CC=CC=C1 > InChI=1S/C25H25NO4/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3/t17-,18-,23+,25+/m1/s1 > VPMRSLWWUXNYRY-NDOYXKHWSA-N > C25H25NO4 > 403.478 > 403.178358289 > 4 > 55 > 43.741820864826934 > 1 > 0 > 0 > 1 > (1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,14-tetraen-14-yl benzoate > 3.712008725333332 > 0 > 6 > 1 > 9.355121580333083 > 48.00000000000001 > 114.95749999999998 > 4 > 1 > (1S,5R,13R,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,14-tetraen-14-yl benzoate > 0 $$$$