Mrv1652306242119563D 61 65 0 0 0 0 999 V2000 9.1611 -0.3195 0.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6991 -0.3336 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8041 0.1297 1.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4263 0.1326 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 0.6191 2.2926 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 -0.3465 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 -0.3172 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -0.7711 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 -1.2406 -2.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -1.2831 -2.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 -1.7571 -2.9844 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 -0.8365 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 -0.8213 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8288 -0.7565 -1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5105 -1.1722 -2.9984 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8146 -0.2918 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 0.1446 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 0.5135 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.4429 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4968 0.0194 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9248 0.0714 -0.7421 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7536 -1.0161 -0.2392 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7810 -0.8831 0.7986 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4216 0.4908 0.7474 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5054 0.6583 -0.1427 N 0 0 2 0 0 0 0 0 0 0 0 0 -7.6235 -0.1571 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2455 0.6994 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2931 1.5201 0.5702 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0060 2.8772 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4099 1.3155 -0.3934 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 -0.3539 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9817 -0.7539 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 0.1483 0.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 0.5669 1.8605 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5357 0.3922 1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6093 -0.0742 -0.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5207 -1.3378 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.5070 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 0.9462 3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7758 -1.5784 -3.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1595 -2.1080 -3.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9013 -1.2020 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 0.8439 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 0.7568 1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9268 0.0683 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 -1.9779 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 -1.3740 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -1.0847 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5711 -1.6401 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8243 0.6918 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3331 -0.3513 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3067 0.3617 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 -1.1354 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0605 1.3399 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3258 -0.3003 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3072 1.2289 -1.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8406 1.5542 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 3.1330 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7923 2.7661 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 3.6857 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.0501 -3.3387 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 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 8 14 1 0 0 0 0 14 15 2 0 0 0 0 14 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 20 31 2 0 0 0 0 31 32 1 0 0 0 0 17 33 1 0 0 0 0 33 34 2 0 0 0 0 13 2 1 0 0 0 0 31 16 1 0 0 0 0 12 6 1 0 0 0 0 30 21 1 0 0 0 0 33 7 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 3 38 1 0 0 0 0 5 39 1 0 0 0 0 9 40 1 0 0 0 0 11 41 1 0 0 0 0 13 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 21 45 1 6 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 1 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 1 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > NP0014506 > NP-MRD > [H]OC1=C([H])C2=C(C(=O)C3=C(C2=O)C(O[H])=C(C([H])=C3[H])[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C2=C(O[H])C([H])=C(C([H])=C12)C([H])([H])[H] > InChI=1S/C27H27NO6/c1-12-9-16-19(29)11-17-23(22(16)20(30)10-12)26(32)15-6-5-14(25(31)24(15)27(17)33)21-8-7-18(28(3)4)13(2)34-21/h5-6,9-11,13,18,21,29-31H,7-8H2,1-4H3/t13-,18-,21+/m0/s1 > LCNXLRHNCJLJRN-LTBCBRHQSA-N > C27H27NO6 > 461.514 > 461.183837593 > 7 > 61 > 51.27445019160067 > 1 > 3 > 0 > 1 > 9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,5,8-trihydroxy-3-methyl-7,12-dihydrotetraphene-7,12-dione > 3.69 > 3.83037370723206 > -4.53 > 0 > 5 > 0 > 7.582752464060645 > 6.791241833929014 > 8.110069452845362 > 107.30000000000001 > 129.4715 > 2 > 1 > 1.36e-02 g/l > 9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,5,8-trihydroxy-3-methyltetraphene-7,12-dione > 0 > NP0014506 > Monacyclinone B $$$$