Mrv1652306242119313D 49 51 0 0 0 0 999 V2000 3.6407 3.1016 -0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 2.5191 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 2.8771 1.1227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 1.5819 -0.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4368 1.0259 -0.1707 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6870 1.7045 -0.9167 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8234 0.8851 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.3709 -2.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 0.5610 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6126 0.7262 1.0404 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8829 1.1520 1.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 -0.4755 1.8170 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8385 -0.0476 3.0979 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -1.3948 1.2976 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3845 -1.8409 -0.1122 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0378 -3.2146 -0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 -1.0673 -0.9041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4039 -0.4528 -0.1464 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1657 -0.8696 1.3037 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2014 -1.9303 1.1569 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6576 -1.2418 -0.1152 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8845 -2.1908 -1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 -0.5552 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2828 2.2515 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 3.8384 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 3.5898 0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3774 1.4822 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3027 2.2006 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 2.5922 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -0.5628 -2.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0906 0.2985 -3.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6561 1.1457 -3.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7105 0.1377 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 1.5669 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 1.9426 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -1.0611 2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 0.8840 3.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 -2.2894 1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 -1.8687 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -3.7271 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 -0.0895 2.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 -2.9722 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 -1.8527 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9672 -2.3942 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 -3.1089 -0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6006 -1.7372 -1.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 -0.0507 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -1.4219 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9816 -0.0176 1.1223 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 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 17 1 6 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 6 0 0 0 21 23 1 0 0 0 0 18 5 1 0 0 0 0 19 14 1 0 0 0 0 21 18 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 5 27 1 1 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 6 0 0 0 11 35 1 0 0 0 0 12 36 1 1 0 0 0 13 37 1 0 0 0 0 14 38 1 1 0 0 0 15 39 1 6 0 0 0 16 40 1 0 0 0 0 19 41 1 1 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 M END > NP0261220 > NP-MRD > [H]O[C@]1([H])O[C@@]23[C@]([H])(C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(O[H])\C([H])=C(C([H])([H])[H])/C([H])([H])[C@]3([H])OC(=O)C([H])([H])[H] > InChI=1S/C17H26O6/c1-8-5-11(19)14(20)13-10-7-16(3,4)17(10,23-15(13)21)12(6-8)22-9(2)18/h5,10-15,19-21H,6-7H2,1-4H3/b8-5-/t10-,11-,12+,13+,14+,15-,17-/m1/s1 > AEAPRSLZIGMPLR-JTOBYADPSA-N > C17H26O6 > 326.389 > 326.172938557 > 5 > 49 > 33.516116398633905 > 1 > 3 > 0 > 1 > (1S,2S,4Z,6R,7R,8S,9R,13R)-6,7,13-trihydroxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.0^{1,9}]tridec-4-en-2-yl acetate > 0.35 > 0.4315994589999993 > -1.67 > 0 > 3 > 0 > 13.541778775362111 > 12.05301651387195 > -3.317953718004704 > 96.22000000000001 > 81.58189999999999 > 2 > 1 > 7.01e+00 g/l > (1S,2S,4Z,6R,7R,8S,9R,13R)-6,7,13-trihydroxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.0^{1,9}]tridec-4-en-2-yl acetate > 0 > NP0261220 > (1s,2s,4e,6r,7r,8s,9r,13r)-6,7,13-trihydroxy-4,11,11-trimethyl-12-oxatricyclo[6.3.2.0¹,⁹]tridec-4-en-2-yl acetate $$$$