Mrv1652306242117273D 42 44 0 0 0 0 999 V2000 5.3187 -1.6060 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -0.9787 -0.2585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 0.1692 -0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 0.6326 -1.6919 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 0.8166 -0.9529 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4959 1.9399 -1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -0.1863 -1.5252 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0207 0.2667 -1.3504 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8238 -0.6630 -1.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1689 -0.3922 -1.6520 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6589 0.8076 -2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -0.2579 -0.1869 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9282 -1.6171 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 0.2362 0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6431 0.4336 1.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9366 0.1963 2.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 0.8875 2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 1.0996 4.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 1.1464 2.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 0.9350 0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 0.4820 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 1.1948 0.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 -2.1633 0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 -0.8547 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3987 -2.3565 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 1.5717 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7238 -0.3757 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -1.1321 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0636 1.2338 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 -1.2749 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 1.5975 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 0.5903 -3.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 1.2234 -3.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 0.4249 -0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0329 -1.7057 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5121 -2.3824 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 -1.8268 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 1.0981 3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 -0.6482 3.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 0.0604 2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0803 1.4255 4.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 1.5001 2.8970 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 6 0 0 0 5 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 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 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 5 1 0 0 0 0 21 8 1 0 0 0 0 21 14 2 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 6 0 0 0 10 30 1 6 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 6 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > NP0016318 > NP-MRD > [H]OC1=C(C2=C3C(O[C@@](O[H])(C(=O)OC([H])([H])[H])C([H])([H])[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]2([H])C([H])([H])[H])=C1[H])C([H])([H])[H] > InChI=1S/C16H20O6/c1-7-9(3)21-12-6-16(19,15(18)20-4)22-11-5-10(17)8(2)13(7)14(11)12/h5,7,9,12,17,19H,6H2,1-4H3/t7-,9-,12-,16-/m1/s1 > YEZMCYKWBDSBML-CEVPSZDGSA-N > C16H20O6 > 308.33 > 308.125988364 > 5 > 42 > 31.930411629016707 > 1 > 2 > 0 > 1 > methyl (3R,5R,7R,8S)-3,11-dihydroxy-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-triene-3-carboxylate > 1.41 > 2.679527787333334 > -2.55 > 0 > 3 > 0 > 9.896163055872838 > 9.225609368036055 > -4.146097644742244 > 85.22000000000001 > 77.6048 > 2 > 1 > 8.73e-01 g/l > methyl (3R,5R,7R,8S)-3,11-dihydroxy-7,8,10-trimethyl-2,6-dioxatricyclo[7.3.1.0^{5,13}]trideca-1(12),9(13),10-triene-3-carboxylate > 0 > NP0016318 > Penicitrinol P $$$$