Mrv1652304282222072D 37 42 0 0 1 0 999 V2000 0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 -0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 1.1884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2463 1.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9948 -0.3634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8069 -0.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.1221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8705 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5902 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9629 -0.1684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.6509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 1.1139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3072 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 2.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7354 1.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 3.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 -0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 1.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 1.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 3.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3398 4.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 3.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 2.1937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2899 1.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 6 0 0 0 6 8 1 6 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 5 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 9 16 1 0 0 0 0 16 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 13 28 1 6 0 0 0 9 29 1 6 0 0 0 5 30 1 1 0 0 0 4 31 1 1 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 31 36 1 0 0 0 0 36 37 1 1 0 0 0 M END > NP0074786 > NP-MRD > COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=CC(=O)O[C@@H]3O)[C@@]12C > InChI=1S/C27H34O10/c1-23(2)14-10-15(28)26(5)13(25(14,4)16(36-23)11-17(29)33-6)7-8-24(3)19(12-9-18(30)34-21(12)31)35-22(32)20-27(24,26)37-20/h9,13-14,16,19-21,31H,7-8,10-11H2,1-6H3/t13-,14+,16-,19+,20-,21+,24+,25-,26+,27-/m1/s1 > SAOLXGKDXTUSRH-GIYGPDHUSA-N > C27H34O10 > 518.559 > 518.215197295 > 7 > 71 > 52.42524911510664 > 1 > 1 > 0 > 0 > methyl 2-[(1R,2R,4S,7R,8S,11R,12R,13R,16R)-7-[(2S)-2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0^{2,4}.0^{2,8}.0^{12,16}]octadecan-13-yl]acetate > 2.59 > 2.008225421999998 > -4.43 > 0 > 6 > -1 > 11.730228744954733 > 5.303217314884195 > -3.947815206365475 > 137.96 > 124.15249999999997 > 4 > 0 > 1.93e-02 g/l > methyl [(1R,2R,4S,7R,8S,11R,12R,13R,16R)-7-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0^{2,4}.0^{2,8}.0^{12,16}]octadecan-13-yl]acetate > 0 > NP0074786 > Veprisonic acid $$$$