Mrv1652309112222032D 24 26 0 0 1 0 999 V2000 -2.8057 -4.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0913 -3.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0913 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 -4.1688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3768 -4.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6623 -3.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 -4.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -3.7563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2363 -3.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -4.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 -4.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 -4.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 -3.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -2.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3575 -1.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 -1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7003 -1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9824 -2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 -2.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 -3.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -3.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -4.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 -4.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2969 -3.1243 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 2 4 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 2 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 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 12 22 1 0 0 0 0 22 23 2 0 0 0 0 13 24 1 0 0 0 0 8 24 1 0 0 0 0 M END > NP0319155 > NP-MRD > CC(C)[C@H](O)CC[C@@]1(C)OC2=C(C=C1)C(=O)N(C)C1=CC=CC=C21 > InChI=1S/C20H25NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13,17,22H,10,12H2,1-4H3/t17-,20+/m1/s1 > HWFNEQJAINFFPD-XLIONFOSSA-N > C20H25NO3 > 327.424 > 327.183443669 > 3 > 49 > 37.03468985175579 > 1 > 1 > 0 > 1 > (2R)-2-[(3R)-3-hydroxy-4-methylpentyl]-2,6-dimethyl-2H,5H,6H-pyrano[3,2-c]quinolin-5-one > 2.512695357666667 > 0 > 3 > 0 > 14.962950050229292 > -0.9438702201734633 > 49.769999999999996 > 96.75280000000001 > 4 > 1 > (2R)-2-[(3R)-3-hydroxy-4-methylpentyl]-2,6-dimethylpyrano[3,2-c]quinolin-5-one > 0 > NP0319155 > (2r)-2-[(3r)-3-hydroxy-4-methylpentyl]-2,6-dimethylpyrano[3,2-c]quinolin-5-one $$$$