5284569 -OEChem-10051719263D 43 47 0 1 0 0 0 0 0999 V2000 -1.5604 -1.0395 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 -3.2458 -0.3367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 0.6985 0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2122 0.9116 0.4873 N 0 0 2 0 0 0 0 0 0 0 0 0 0.7515 -0.6227 0.6656 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8678 -0.9528 -0.3316 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5371 0.3989 -0.7298 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2870 -1.7090 0.9857 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3921 -0.0145 1.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 0.3568 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 -1.7866 -1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 1.3996 -1.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 1.1802 1.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 1.3493 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 -3.0513 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 -2.7002 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4805 0.1041 0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 2.0442 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9113 2.1801 -1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 0.9195 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2217 1.9755 -0.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 1.6041 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 -1.5750 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 0.1782 -1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0093 -2.2908 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 -0.7895 2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 0.3090 2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2188 -2.0625 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6757 -1.2175 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1365 -2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 2.4277 -1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 2.0722 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8969 1.4000 2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 -3.6712 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -3.6451 -1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 2.2462 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 2.9625 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 1.8230 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7245 2.9786 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 2.6659 -1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 1.2856 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9144 1.5524 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6042 2.6250 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 17 20 2 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > DB00956 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LLPOLZWFYMWNKH-CMKMFDCUSA-N/SDF?record_type=3d > [H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O > InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1 > LLPOLZWFYMWNKH-CMKMFDCUSA-N > C18H21NO3 > 299.3642 > 299.152143543 > 4 > 43 > 0.9932151068431847 > 32.02758424667748 > 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-trien-14-one > 2.13 > 1.9603039676666665 > -2.57 > 0 > 1 > 5 > 1 > 19.440386746672676 > 9.165500303357218 > 38.77 > 82.74470000000002 > 1 > 1 > 7.97e-01 g/l > tetrahydrofolic acid > 1 $$$$