Mrv1652306242119543D 62 64 0 0 0 0 999 V2000 6.2424 1.2538 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 1.0027 -0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1924 2.0008 -0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 -0.3149 -0.7763 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -0.8120 -0.2744 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0218 0.0049 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9831 1.2141 -0.6011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7401 -0.6208 -0.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4289 0.1062 -0.7049 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0634 -0.1027 -2.0685 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8866 1.1355 -2.3825 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7470 1.5391 -1.2076 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1731 1.6276 -1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4255 2.8937 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7861 0.4379 -0.2138 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8569 0.5600 0.8464 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0343 -0.7959 1.4542 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1008 -1.4189 0.7533 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 -1.6941 1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6695 -1.3527 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -2.4891 1.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5917 -3.6188 1.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -3.1293 1.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -3.8861 1.9292 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 0.0156 0.3618 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9799 0.8611 1.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -1.1434 1.2145 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3808 -2.2110 1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.0987 2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 0.8240 -2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4181 2.3485 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 0.8408 -0.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -1.0608 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0067 -1.7915 -0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 1.2075 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 -0.9800 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 -0.0801 -2.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 1.9821 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4528 0.9111 -3.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 0.5937 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7744 2.2790 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 2.0629 -2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 3.4446 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 3.5123 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 2.9472 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1252 -0.4627 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 1.3723 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7893 0.8465 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 -0.7677 2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8995 -1.4475 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1315 -2.3772 1.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1369 -2.7269 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 0.1816 2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1321 1.5326 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 1.3931 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -1.5044 1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 -2.2463 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1754 -2.0710 0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 -3.1882 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0591 0.9749 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7326 0.3056 1.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -0.0181 3.0804 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 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 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 1 0 0 0 5 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 25 9 1 0 0 0 0 25 15 1 0 0 0 0 23 19 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 4 33 1 0 0 0 0 5 34 1 6 0 0 0 9 35 1 6 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 6 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 1 0 0 0 18 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 1 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 M END > NP0014255 > NP-MRD > [H]O[C@@]1([H])C2=C(C([H])([H])OC2=O)[C@@]2(C([H])([H])[H])[C@@]([H])(OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C1([H])[H] > InChI=1S/C22H33NO6/c1-11(2)18(23-12(3)24)20(27)29-16-7-8-21(4,5)15-9-14(25)17-13(22(15,16)6)10-28-19(17)26/h11,14-16,18,25H,7-10H2,1-6H3,(H,23,24)/t14-,15+,16+,18+,22-/m1/s1 > NYMWPFSBPAKBJW-GZOXUXNESA-N > C22H33NO6 > 407.507 > 407.230787787 > 4 > 62 > 43.68852542206997 > 1 > 2 > 0 > 1 > (4R,5aS,9S,9aS)-4-hydroxy-6,6,9a-trimethyl-3-oxo-1H,3H,4H,5H,5aH,6H,7H,8H,9H,9aH-naphtho[1,2-c]furan-9-yl (2S)-2-acetamido-3-methylbutanoate > 2.13 > 1.8179812336666663 > -3.81 > 0 > 3 > 0 > 12.919292967971163 > 12.303899893932385 > -1.6341770686016819 > 101.93 > 105.75759999999998 > 5 > 1 > 6.37e-02 g/l > (4R,5aS,9S,9aS)-4-hydroxy-6,6,9a-trimethyl-3-oxo-1H,4H,5H,5aH,7H,8H,9H-naphtho[1,2-c]furan-9-yl (2S)-2-acetamido-3-methylbutanoate > 0 > NP0014255 > Minioluteumide B $$$$