Mrv1652306242119523D 52 53 0 0 0 0 999 V2000 -4.0602 -0.7491 -0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9660 0.1645 0.1453 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2515 0.8506 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3186 0.4140 -2.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4664 2.0520 -0.6850 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6245 3.0968 -1.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0139 1.8077 -0.4503 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5513 3.1262 -0.4416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 1.0865 -1.5370 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9262 1.8276 -2.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 -0.3277 -1.3277 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0670 -0.5888 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 0.3127 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 -0.0600 1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 0.8627 2.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 -1.3872 1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -2.3033 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6145 -3.6532 1.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -1.9317 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1149 -1.2689 -1.3106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 -1.6925 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 -2.4391 -1.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 -1.3228 0.8582 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1776 -2.6044 1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -0.4079 1.2184 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0227 -1.0146 2.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 -0.2861 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1328 -1.7047 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 -0.8273 -1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5472 1.0128 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 2.6016 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 3.7415 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 3.7662 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 2.5892 -2.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0757 1.3667 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 3.4917 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 1.0655 -2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 1.1756 -2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 2.7335 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7823 2.1843 -3.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.5711 -2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 1.3352 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 1.1218 3.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -1.6870 2.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 -4.0026 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 -2.7172 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -0.8945 1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -3.3245 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -3.1121 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0998 -2.3602 2.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7281 0.4706 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6177 -1.0192 3.0389 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 11 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 2 1 0 0 0 0 19 12 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 1 0 0 0 5 31 1 1 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 1 0 0 0 8 36 1 0 0 0 0 9 37 1 6 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 6 0 0 0 13 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 23 47 1 1 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 1 0 0 0 26 52 1 0 0 0 0 M END > NP0014030 > NP-MRD > [H]OC1=C([H])C(=C([H])C(O[H])=C1[H])[C@@]1([H])OC(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C19H26O7/c1-8-15(22)9(2)17(24)11(4)19(25)26-18(10(3)16(8)23)12-5-13(20)7-14(21)6-12/h5-11,16-18,20-21,23-24H,1-4H3/t8-,9+,10+,11+,16-,17+,18-/m0/s1 > FILCWWHFFXLICK-QANDFMBQSA-N > C19H26O7 > 366.41 > 366.167853177 > 6 > 52 > 36.98170686795282 > 1 > 4 > 0 > 1 > (3R,4R,5S,7R,8R,9R,10S)-10-(3,5-dihydroxyphenyl)-4,8-dihydroxy-3,5,7,9-tetramethyloxecane-2,6-dione > 1.74 > 2.100060163666667 > -2.14 > 0 > 2 > 0 > 10.553308051867551 > 9.091135327614428 > -3.0428508769781892 > 124.29 > 93.1724 > 1 > 1 > 2.64e+00 g/l > (3R,4R,5S,7R,8R,9R,10S)-10-(3,5-dihydroxyphenyl)-4,8-dihydroxy-3,5,7,9-tetramethyloxecane-2,6-dione > 0 > NP0014030 > Saccharothriolide C $$$$