Mrv1652306242117283D 70 73 0 0 0 0 999 V2000 5.8776 1.7761 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0825 0.6186 -1.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 0.0005 -0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 0.3553 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 1.4326 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4416 -0.2509 0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.1368 1.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0192 -0.3617 0.5365 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2902 0.2390 1.0520 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5103 -0.3976 0.4177 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1396 -1.7351 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -0.7055 1.4667 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7685 -1.3578 0.8067 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2557 -0.7570 -0.4421 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2880 -0.0388 -1.3240 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0353 1.1938 -1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 -0.8215 -2.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 0.5578 -0.5135 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2242 1.4040 -1.2965 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5262 2.3347 -0.3115 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3604 1.7382 1.0454 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1683 2.2641 1.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4468 2.0884 1.8974 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -1.2440 1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 -1.6038 1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.9873 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4335 -1.3244 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3825 -0.6821 0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7617 -2.2761 -1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 -2.6722 2.0330 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8583 -2.1694 2.8538 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7248 -2.8901 2.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -2.0532 2.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 -1.9529 3.0924 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9495 1.5871 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 2.4852 -2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7401 2.3141 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 1.2357 -2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 2.3795 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 1.5677 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 -1.4456 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 -0.3071 -0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.0132 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 -1.7474 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0029 -2.2646 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 -2.3764 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1697 -1.3668 2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 0.2633 1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 -2.4649 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -1.3377 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1669 -0.1231 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6839 -1.5960 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6337 1.5058 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0929 1.9909 -1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0980 0.8755 -2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -0.3452 -3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7545 -0.8935 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 -1.8461 -2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 1.2995 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 0.8544 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 2.0563 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 3.2314 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 2.7612 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 1.5571 2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 3.2017 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 2.5674 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 2.9813 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2533 -1.9748 -2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2141 -3.5699 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 -2.9012 3.0723 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 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 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 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 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 1 0 0 0 6 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 26 3 1 0 0 0 0 21 9 1 0 0 0 0 33 24 1 0 0 0 0 18 10 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 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 1 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 1 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 6 0 0 0 31 70 1 0 0 0 0 M END > NP0016444 > NP-MRD > [H]OC(=O)C1=C2C(C(=O)O[C@]2([H])O[H])=C(OC([H])([H])[C@@]2([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])C(=C1OC([H])([H])[H])C([H])([H])[H] > InChI=1S/C26H36O8/c1-13-19(32-6)17(21(27)28)16-18(23(30)34-22(16)29)20(13)33-12-15-25(4)10-7-9-24(2,3)14(25)8-11-26(15,5)31/h14-15,22,29,31H,7-12H2,1-6H3,(H,27,28)/t14-,15+,22-,25-,26+/m0/s1 > VXXREXCZEJDFCH-FIKUTGHZSA-N > C26H36O8 > 476.566 > 476.241018119 > 7 > 70 > 51.10605020414901 > 1 > 3 > 0 > 1 > (3S)-7-{[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decahydronaphthalen-1-yl]methoxy}-3-hydroxy-5-methoxy-6-methyl-1-oxo-1,3-dihydro-2-benzofuran-4-carboxylic acid > 3.58 > 3.9556489986666663 > -4.43 > 0 > 4 > -1 > 11.114936268086781 > 3.2087261093635346 > -2.9304318607324884 > 122.52000000000001 > 124.84129999999995 > 5 > 1 > 1.79e-02 g/l > (3S)-7-{[(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1H-naphthalen-1-yl]methoxy}-3-hydroxy-5-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid > 0 > NP0016444 > Fendlerinine A $$$$