Mrv1652306242120043D 69 69 0 0 0 0 999 V2000 -1.9459 4.0975 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 3.6119 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 2.2986 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6645 1.5836 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 1.2774 -1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 1.5574 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5842 0.8185 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4567 -0.2452 -0.2870 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3120 -1.6726 -0.7658 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7032 -2.0338 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 -2.5472 0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -3.8586 0.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9543 -4.7706 1.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -4.2224 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 -3.4146 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1711 -2.0873 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 -1.7948 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.7795 1.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5309 -3.4257 2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6701 -3.1953 1.1177 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1130 -1.7585 1.1308 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2572 -1.6823 1.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 -1.1780 -0.1889 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3209 0.3392 -0.0985 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5971 0.8429 0.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 0.9116 -1.3946 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5881 2.3788 -1.4487 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5148 2.6773 -2.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 3.0798 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 4.0010 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5759 4.6941 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 4.5758 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 5.0904 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 3.3999 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 4.0567 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 1.7214 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3636 1.1712 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 0.8093 -2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8667 2.3437 -2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 1.1183 -1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.2657 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -0.1077 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -1.7517 -1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 -2.1623 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0252 -1.2073 -1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6211 -3.0104 -1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1117 -2.1582 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 -5.2275 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 -3.7834 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2703 -1.1986 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.7034 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 -3.0084 2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -4.1627 2.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5084 -3.8208 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3749 -3.4612 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3553 -1.0687 1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 -2.3062 2.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -1.5526 -0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 -1.4225 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6688 0.6327 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9892 0.2295 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6274 0.6513 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 0.3886 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4624 2.7897 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4343 1.9848 -3.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 2.7446 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1206 4.3552 1.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7802 5.5463 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 5.2663 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 6 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 1 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 1 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 6 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 M END > NP0014546 > NP-MRD > [H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/C([H])([H])[C@@]([H])(N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])\C([H])([H])[H] > InChI=1S/C27H37NO4/c1-22-14-8-6-7-9-16-23(2)28-27(32)19-11-5-3-4-10-17-24(29)20-26(31)21-25(30)18-13-12-15-22/h3-15,18-19,23-26,29-31H,16-17,20-21H2,1-2H3,(H,28,32)/b5-3-,8-6-,9-7-,10-4-,15-12-,18-13-,19-11-,22-14-/t23-,24+,25-,26+/m0/s1 > UGEFTPDLHPVPKD-JOSQDROBSA-N > C27H37NO4 > 439.596 > 439.272258675 > 4 > 69 > 49.31172519411169 > 1 > 4 > 0 > 0 > (3Z,5Z,7Z,10R,12R,14R,15Z,17Z,19Z,21Z,23Z,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one > 3.74 > 2.7308047229999994 > -4.60 > 0 > 1 > 0 > 15.032158333571424 > 14.486375428947653 > -0.18240245411324751 > 89.79 > 141.25650000000002 > 0 > 1 > 1.10e-02 g/l > (3Z,5Z,7Z,10R,12R,14R,15Z,17Z,19Z,21Z,23Z,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one > 0 > NP0014546 > Mirilactam B $$$$