Mrv1652304282205442D 19 20 0 0 1 0 999 V2000 2.0871 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 0.9365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7502 1.7084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5643 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.7476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1925 2.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 1.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4240 0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 3.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 2.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 2.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 0.9751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8808 0.3310 0.0000 C 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 1 0 0 0 9 13 1 1 0 0 0 8 14 1 0 0 0 0 6 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 5 18 1 0 0 0 0 18 19 1 6 0 0 0 M END > NP0058383 > NP-MRD > C[C@H]1[C@@H]2CCC(=C)[C@H](O)C[C@H](O)\C(C)=C\[C@@H]2OC1=O > InChI=1S/C15H22O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,10-14,16-17H,1,4-5,7H2,2-3H3/b9-6+/t10-,11-,12+,13-,14-/m0/s1 > LLPYDSMSNNUQCD-XUDXSXIWSA-N > C15H22O4 > 266.337 > 266.151809188 > 3 > 41 > 28.37647141721847 > 1 > 2 > 0 > 1 > (3S,3aS,7R,9S,11aR)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one > 1.21 > 1.1980294726666665 > -1.78 > 0 > 2 > 0 > 14.93125816089357 > 14.227377246654022 > -3.0008519176037574 > 66.75999999999999 > 72.05789999999999 > 0 > 1 > 4.40e+00 g/l > (3S,3aS,7R,9S,11aR)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3H,3aH,4H,5H,7H,8H,9H,11aH-cyclodeca[b]furan-2-one > 0 > NP0058383 > Artapshinin $$$$