Mrv1652304292203402D 37 42 0 0 1 0 999 V2000 1.2663 0.9028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8048 0.1303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7316 -0.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 -0.4526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3876 0.0056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1040 0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 1.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 -0.5784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5916 -1.2924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6947 -1.1884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5453 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8174 -0.9655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1691 -1.4757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5969 -1.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -0.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 -1.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0112 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2868 -2.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8283 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2416 -1.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8299 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2432 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 0.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 -0.5813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 -1.2953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4783 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 -2.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 -2.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7543 -3.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1418 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 -2.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 0.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 0.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9098 1.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 1 0 0 0 9 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 8 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 21 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 28 32 2 0 0 0 0 21 33 1 1 0 0 0 8 34 1 1 0 0 0 4 35 1 1 0 0 0 2 36 1 6 0 0 0 1 37 1 6 0 0 0 M END > NP0080680 > NP-MRD > COC(=O)[C@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@H](C(=O)[C@H]2O)[C@@]2(O)[C@H](CC[C@@]4(C)[C@@H](OC(=O)C=C24)C2=COC=C2)[C@]13C > InChI=1S/C27H32O10/c1-23-7-5-13-25(3)18(17(30)22(32)35-4)24(2)11-26(25,33)19(16(29)20(24)31)27(13,34)14(23)9-15(28)37-21(23)12-6-8-36-10-12/h6,8-10,13,17-21,30-31,33-34H,5,7,11H2,1-4H3/t13-,17-,18+,19+,20-,21+,23-,24-,25-,26+,27-/m1/s1 > BXSPWNHDIUKNAJ-YFUIIPMBSA-N > C27H32O10 > 516.543 > 516.19954723 > 7 > 69 > 51.292270395071434 > 1 > 4 > 0 > 0 > methyl (2R)-2-[(1S,2R,5R,6R,11S,12S,14S,15R,17S,18S)-6-(furan-3-yl)-11,14,17-trihydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.0^{2,11}.0^{5,10}.0^{12,17}]octadec-9-en-18-yl]-2-hydroxyacetate > 1.24 > 0.17856529433333337 > -3.02 > 0 > 6 > 0 > 12.445668339511496 > 10.546506812577691 > -2.888891528107173 > 163.73000000000002 > 125.06329999999998 > 4 > 0 > 4.89e-01 g/l > (R)-(methyl [(1S,2R,5R,6R,11S,12S,14S,15R,17S,18S)-6-(furan-3-yl)-11,14,17-trihydroxy-1,5,15-trimethyl-8,13-dioxo-7-oxapentacyclo[13.2.1.0^{2,11}.0^{5,10}.0^{12,17}]octadec-9-en-18-yl](hydroxy)acetate) > 0 > NP0080680 > (+)-Khayanolide C $$$$