Mrv1652304282210532D 25 29 0 0 1 0 999 V2000 2.4742 1.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5398 0.0105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3650 -0.3767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9037 0.2759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6558 -0.1424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5387 -1.3258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4622 -0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9443 -0.5545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1727 -1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4554 -1.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7423 -1.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -0.4111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0663 0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -0.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6823 -1.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 0.0607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0878 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3392 0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0494 -0.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3892 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.6306 0.0000 C 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 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 4 8 1 1 0 0 0 7 9 1 0 0 0 0 10 9 1 6 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 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 1 0 0 0 10 22 1 0 0 0 0 22 23 1 0 0 0 0 6 23 1 0 0 0 0 23 24 2 0 0 0 0 6 25 1 1 0 0 0 M END > NP0064705 > NP-MRD > CC[C@@H](C)C(=O)O[C@@H]1OC=C2[C@@H]3C[C@H]4C[C@]22[C@@H]1CC[C@@H]2[C@]4(C)C(=O)O3 > InChI=1S/C20H26O5/c1-4-10(2)16(21)25-17-12-5-6-15-19(3)11-7-14(24-18(19)22)13(9-23-17)20(12,15)8-11/h9-12,14-15,17H,4-8H2,1-3H3/t10-,11+,12-,14+,15-,17+,19-,20+/m1/s1 > NQPYPEJSUJSTMT-YFVNVMRDSA-N > C20H26O5 > 346.423 > 346.178023937 > 3 > 51 > 26.6206534502518 > 1 > 0 > 0 > 1 > (1S,5S,6S,9S,10R,13S,15R)-10-methyl-11-oxo-4,12-dioxapentacyclo[7.7.0.0^{1,6}.0^{2,13}.0^{10,15}]hexadec-2-en-5-yl (2R)-2-methylbutanoate > 2.93 > 3.1173531396666667 > -4.00 > 0 > 5 > 0 > -4.891429351242481 > 61.830000000000005 > 88.72070000000001 > 4 > 1 > 3.49e-02 g/l > (1S,5S,6S,9S,10R,13S,15R)-10-methyl-11-oxo-4,12-dioxapentacyclo[7.7.0.0^{1,6}.0^{2,13}.0^{10,15}]hexadec-2-en-5-yl (2R)-2-methylbutanoate > 0 > NP0064705 > Trixikingolide isovalerate $$$$