Mrv1652306242119563D 63 66 0 0 0 0 999 V2000 5.8454 -0.5140 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6175 0.4056 -0.7589 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9267 1.5162 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 2.6943 -0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 1.2974 1.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 -0.4394 -0.4279 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5253 -1.1880 0.8748 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0752 -1.3330 1.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 -1.6717 2.4077 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 -0.9682 0.0839 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3985 -2.0503 -0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0853 -0.6231 0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.4012 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1935 1.2628 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 2.3090 -1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 0.9012 -1.5534 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1287 0.2556 -0.3134 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0617 1.2012 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 0.7109 -0.3191 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1558 1.9000 0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5343 1.1573 -1.6858 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9171 0.6799 -2.0633 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8060 0.4504 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9364 0.8826 -0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -0.3176 0.2239 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8844 -1.7369 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8576 0.2210 1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 -0.4685 0.1951 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2380 -0.8672 1.5374 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8808 -1.4189 1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 -2.4952 1.7236 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 -1.3833 -1.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 -0.8314 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 0.0524 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 0.7309 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 1.3805 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3464 -1.2057 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 -0.7155 1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 -2.2348 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -2.8060 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -1.6618 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -2.6248 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 0.3056 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2286 1.8276 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 2.2388 0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9952 1.2538 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 0.7931 1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 2.0626 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4456 1.7773 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 2.7599 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8658 0.8129 -2.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 2.2672 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3739 1.4270 -2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 -0.2665 -2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9743 -1.6385 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -2.1702 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5766 -2.3820 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 0.2847 2.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3736 1.2071 1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6919 -0.4177 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 -1.3302 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 -0.0188 2.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8798 -1.6489 1.9872 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 6 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 1 0 0 0 13 19 1 0 0 0 0 19 20 1 1 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 6 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 2 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 6 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 6 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END > NP0014485 > 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])C3=O)C([H])([H])[H] > InChI=1S/C25H32O6/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/h12-13,16H,7-11H2,1-6H3,(H,30,31)/t12-,13+,16-,23-,24+,25-/m0/s1 > UAFWFNZQRZDPMO-FXJQOORKSA-N > C25H32O6 > 428.525 > 428.21988875 > 6 > 63 > 46.01205313945319 > 1 > 1 > 0 > 1 > (2S)-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]propanoic acid > 3.34 > 3.544361284666668 > -4.42 > 0 > 4 > -1 > 18.82856906902 > 4.208062196924483 > -7.097988111875856 > 105.58 > 113.69069999999999 > 2 > 1 > 1.62e-02 g/l > (2S)-2-[(2S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-5,9,12,17-tetraoxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]propanoic acid > 0 > NP0014485 > Ganodernoid A $$$$