Mrv1652304282205472D 19 20 0 0 1 0 999 V2000 3.1925 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 -0.8834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4589 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 -0.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 -1.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 -1.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 0.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.5267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7958 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 -1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 1.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 -2.4271 0.0000 C 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 10 1 1 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 1 16 1 0 0 0 0 15 17 1 0 0 0 0 13 18 1 1 0 0 0 3 19 1 0 0 0 0 M END > NP0058416 > NP-MRD > C\C1=C/[C@H]2OC(=O)C(CO)=C2[C@@H](O)C\C(C)=C\CC1 > InChI=1S/C15H20O4/c1-9-4-3-5-10(2)7-13-14(12(17)6-9)11(8-16)15(18)19-13/h4,7,12-13,16-17H,3,5-6,8H2,1-2H3/b9-4+,10-7+/t12-,13+/m0/s1 > MNGGLYFKZXXVOM-NAGBHAGYSA-N > C15H20O4 > 264.321 > 264.136159124 > 3 > 39 > 27.46171523505759 > 1 > 2 > 0 > 1 > (4S,11aR)-4-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2H,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one > 1.37 > 1.280946658 > -2.60 > 0 > 2 > 0 > 14.635882229203762 > 12.461002105349447 > -2.865210719854548 > 66.76 > 73.9655 > 1 > 1 > 6.62e-01 g/l > (4S,11aR)-4-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one > 0 > NP0058416 > 8alpha,13-Dihydroxy-1(10)E,4E,7(11)-germacratrien-12,6alpha-olide $$$$