Mrv1652306242119563D 65 68 0 0 0 0 999 V2000 4.6526 -1.7926 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 -1.1133 0.1621 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8728 -0.4835 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 -0.5484 0.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 0.2041 -1.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 0.0066 0.1627 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4935 0.6076 -1.2487 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0272 0.9021 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 1.0135 -2.5752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 0.9910 -0.1240 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0269 2.2265 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 0.8833 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -0.1839 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2127 -0.8944 1.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -1.7495 2.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -0.4693 1.7854 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1371 -0.2855 0.4096 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6191 -1.4057 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8701 -0.6255 0.1312 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8680 -0.9771 -1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3751 -1.8213 0.8771 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6755 -2.2607 0.1909 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5624 -1.1168 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7135 -1.3444 -0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 0.2990 0.2265 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0223 0.7393 1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8271 1.0851 -0.9302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7713 0.5741 0.4167 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3230 1.7997 -0.3141 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8740 1.9619 -0.5310 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5749 2.3152 -1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 -2.6379 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -2.2402 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6055 -1.0346 2.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 -1.8372 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5508 1.0985 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 0.7452 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1148 1.4934 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 -0.1812 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4475 3.0889 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 2.3879 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9114 2.3140 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2133 -1.1803 2.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 0.4747 2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 -1.0243 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -1.9848 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -2.0827 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 -2.0205 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -0.3565 -1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -1.0045 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 -1.6569 1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 -2.6846 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 -2.9871 0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4588 -2.8343 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 0.2442 2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9586 1.8411 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 0.3794 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4943 0.7455 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 2.1673 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 0.8582 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 0.7681 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 2.6782 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 1.7634 -1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 2.8772 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 3.2856 -2.0000 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 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 13 19 1 0 0 0 0 19 20 1 6 0 0 0 19 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 23 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 17 6 1 0 0 0 0 28 19 1 0 0 0 0 17 10 1 0 0 0 0 30 12 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 6 0 0 0 5 36 1 0 0 0 0 6 37 1 1 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 1 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 1 0 0 0 31 65 1 0 0 0 0 M END > NP0014486 > NP-MRD > [H]OC(=O)[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C(=O)[C@]2(C3=C(C(=O)C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C([H])([H])[C@]3([H])O[H])C([H])([H])[H] > InChI=1S/C25H34O6/c1-12(21(30)31)13-9-18(29)25(6)20-14(26)10-16-22(2,3)17(28)7-8-23(16,4)19(20)15(27)11-24(13,25)5/h12-14,16,26H,7-11H2,1-6H3,(H,30,31)/t12-,13+,14-,16-,23-,24+,25-/m0/s1 > WJJMXGMVRMDYBU-UVKILWEPSA-N > C25H34O6 > 430.541 > 430.235538815 > 6 > 65 > 46.676985089537204 > 1 > 2 > 0 > 1 > (2S)-2-[(2S,7R,9S,11R,14R,15R)-9-hydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]propanoic acid > 3.21 > 2.9808335790000005 > -3.93 > 0 > 4 > -1 > 14.5140322721108 > 4.280382331845079 > -3.011344420738337 > 108.74 > 114.51299999999999 > 2 > 1 > 5.10e-02 g/l > (2S)-2-[(2S,7R,9S,11R,14R,15R)-9-hydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]propanoic acid > 0 > NP0014486 > Ganodernoid B $$$$