Mrv1652306242117493D 47 49 0 0 0 0 999 V2000 4.9868 2.4165 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 2.2979 1.3022 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0692 1.1370 1.1388 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 -0.0125 1.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 -1.2188 1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -1.2021 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 0.0181 0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 1.1846 0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 2.3390 0.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 0.1057 -0.0154 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3085 0.7859 0.7729 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0486 2.0320 1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 1.0067 -0.1198 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5440 2.3958 -0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 0.2980 -1.4148 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0159 1.2258 -2.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8163 -1.0360 -1.4652 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8964 -1.2697 -0.3205 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7459 -1.7811 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1226 -2.3356 -0.5598 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5122 -3.6711 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 -2.3988 0.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 3.0536 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.4355 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 2.9213 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 -0.0986 1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -2.1486 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 0.5658 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6537 0.0475 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 2.9269 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 2.1703 2.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 2.0172 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 0.8449 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 2.7293 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5925 0.0953 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 2.1799 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 1.5627 -3.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 0.7247 -3.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 -1.0491 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 -1.8757 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9142 -2.8883 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7613 -1.3817 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2108 -1.8238 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -2.0957 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1504 -4.2767 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 -4.2705 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -3.6834 -1.2144 H 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 8 3 1 0 0 0 0 18 10 1 0 0 0 0 22 6 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 10 28 1 6 0 0 0 11 29 1 1 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 1 0 0 0 14 34 1 0 0 0 0 15 35 1 6 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 6 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 M END > NP0003727 > NP-MRD > [H]O[C@@]1([H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(OC3=C(C(=O)N(OC([H])([H])[H])C([H])=C3[H])[C@]2([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C17H25NO4/c1-9-8-17(4)11(3)22-12-6-7-18(21-5)16(20)13(12)14(17)10(2)15(9)19/h6-7,9-11,14-15,19H,8H2,1-5H3/t9-,10+,11-,14-,15-,17-/m0/s1 > MQGVAUZSLCHPHW-SXVPISRNSA-N > C17H25NO4 > 307.39 > 307.178358289 > 4 > 47 > 33.49832901212857 > 1 > 1 > 0 > 1 > (6S,6aR,8S,9S,10R,10aR)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-1H,2H,6H,6aH,7H,8H,9H,10H,10aH-isochromeno[4,3-c]pyridin-1-one > 2.02 > 1.6872473419999998 > -2.40 > 0 > 3 > 0 > 19.639251644475735 > -0.769497205663565 > 59.0 > 84.01180000000002 > 1 > 1 > 1.22e+00 g/l > (6S,6aR,8S,9S,10R,10aR)-9-hydroxy-2-methoxy-6,6a,8,10-tetramethyl-6H,7H,8H,9H,10H,10aH-isochromeno[4,3-c]pyridin-1-one > 0 > NP0003727 > Cordypyridone D $$$$