Mrv1652306242117493D 37 38 0 0 0 0 999 V2000 4.6906 -0.5176 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 -0.3434 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1665 0.1382 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 0.3185 0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 0.7873 1.9144 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 -0.0377 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6698 0.1513 0.5660 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7927 -0.6425 1.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.5620 0.8710 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3299 2.1983 1.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5229 1.3448 1.3719 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9459 0.0984 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -0.4645 0.8731 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -0.2983 -0.2793 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0753 0.4979 -1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 -1.7775 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -0.5172 -1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1503 -0.7062 -1.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -1.1654 -3.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 0.1117 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9841 -1.5804 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6988 -0.3322 -2.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 0.4117 0.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -1.4690 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 0.0307 2.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -0.9899 2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1713 2.1712 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 3.0354 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 2.2072 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 1.1086 2.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 1.2017 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0213 1.1182 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 -0.2481 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 -2.2222 0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0093 -2.1039 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 -2.2844 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0237 -0.7929 -1.8273 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 6 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 2 1 0 0 0 0 14 7 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 3 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 6 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 M END > NP0003770 > NP-MRD > [H]O[C@]1([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@]1(C1=C([H])C(=O)C(=C([H])C1=O)C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H18O4/c1-8-5-11(17)9(6-10(8)16)15(4)13(19)7-12(18)14(15,2)3/h5-6,13,19H,7H2,1-4H3/t13-,15+/m1/s1 > DBTMIHPJDPGOCQ-HIFRSBDPSA-N > C15H18O4 > 262.305 > 262.12050906 > 4 > 37 > 27.25513875720455 > 1 > 1 > 0 > 1 > 2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohexa-2,5-diene-1,4-dione > 1.70 > 2.117140346666668 > -2.66 > 0 > 2 > 0 > 17.171153113267465 > 14.405518146467589 > -3.0552074449251743 > 71.44 > 71.8459 > 1 > 1 > 5.77e-01 g/l > 2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohexa-2,5-diene-1,4-dione > 0 > NP0003770 > Enokipodin D $$$$