Mrv1652306242107393D 37 40 0 0 0 0 999 V2000 -3.0247 -1.2871 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1086 -0.6254 0.1637 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6283 0.6524 0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 1.7864 0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 1.8973 -0.1332 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0583 2.9963 0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1056 0.5990 0.1322 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2601 0.4531 1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 0.4696 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 1.4694 -0.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 1.2371 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1276 2.1668 -2.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 -0.0477 -1.5828 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 -0.9924 -0.6399 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0098 -0.8715 -0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 -1.9577 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -1.8536 -0.3473 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7101 -2.3533 0.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 -1.6349 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 -1.8141 2.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.4743 -0.4703 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0844 -1.0832 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 -0.8243 -1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -2.3474 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 0.6926 1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 2.7129 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 1.9736 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 3.7703 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 -0.6142 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 1.0147 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5966 0.8064 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 2.4845 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9526 -0.7681 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -2.0193 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7224 -2.9220 -0.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 -2.4722 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8907 -0.2196 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 17 21 1 0 0 0 0 19 2 1 0 0 0 0 21 2 1 0 0 0 0 21 7 1 0 0 0 0 15 9 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 6 0 0 0 6 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 10 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 6 0 0 0 21 37 1 6 0 0 0 M END > NP0010611 > NP-MRD > [H]O[C@]1([H])C([H])=C([H])[C@@]2(C(=O)O[C@]3([H])C([H])=C4C(=C([H])C(=O)OC4([H])[H])[C@]1(C([H])([H])[H])[C@]23[H])C([H])([H])[H] > InChI=1S/C16H16O5/c1-15-4-3-11(17)16(2)9-6-12(18)20-7-8(9)5-10(13(15)16)21-14(15)19/h3-6,10-11,13,17H,7H2,1-2H3/t10-,11-,13+,15+,16+/m1/s1 > JYBNWLHGCZDZAC-VWHJJCLCSA-N > C16H16O5 > 288.299 > 288.099773615 > 3 > 37 > 28.356583208054936 > 1 > 1 > 0 > 1 > (1S,9R,12S,15R,16R)-15-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-2,7,13-triene-4,11-dione > 0.87 > 0.6844406470000003 > -2.34 > 0 > 4 > 0 > 14.24563785429557 > -3.128758002531117 > 72.83 > 75.06620000000001 > 0 > 1 > 1.32e+00 g/l > (1S,9R,12S,15R,16R)-15-hydroxy-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-2,7,13-triene-4,11-dione > 0 > NP0010611 > Asperolide A $$$$