Mrv1652304282210532D 19 22 0 0 1 0 999 V2000 0.3329 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1538 -0.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 0.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9606 1.3332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1982 0.8424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5198 1.3272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2632 2.1403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4059 1.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 2.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 2.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 2.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 2.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 1.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 0.8428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8701 0.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0631 0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3314 1.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8654 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 2.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 4 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 4 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 3 14 1 0 0 0 0 14 15 1 1 0 0 0 6 16 1 1 0 0 0 6 17 1 6 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M END > NP0064703 > NP-MRD > C[C@]1([C@H]2C[C@@]34[C@H](CC[C@@H]13)[C@H](O)OC=C4C=C2)C(O)=O > InChI=1S/C15H18O4/c1-14(13(17)18)8-2-3-9-7-19-12(16)10-4-5-11(14)15(9,10)6-8/h2-3,7-8,10-12,16H,4-6H2,1H3,(H,17,18)/t8-,10-,11+,12-,14-,15-/m1/s1 > HMQFUZGTSBPYDP-ZANIRTJDSA-N > C15H18O4 > 262.305 > 262.12050906 > 4 > 37 > 26.6206534502518 > 1 > 2 > 0 > 1 > (1S,7R,8S,11R,12S,14R)-7-hydroxy-14-methyl-6-oxatetracyclo[9.2.1.0^{4,12}.0^{8,12}]tetradeca-2,4-diene-14-carboxylic acid > 1.54 > 1.1925552246666662 > -2.04 > 0 > 4 > -1 > 12.09393108902557 > 4.294417253011387 > -4.069933894631984 > 66.76 > 68.8601 > 1 > 1 > 2.39e+00 g/l > (1S,7R,8S,11R,12S,14R)-7-hydroxy-14-methyl-6-oxatetracyclo[9.2.1.0^{4,12}.0^{8,12}]tetradeca-2,4-diene-14-carboxylic acid > 0 > NP0064703 > Trixol $$$$