Mrv1652304282210172D 17 19 0 0 1 0 999 V2000 3.4890 2.3296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3054 1.5253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5621 1.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 1.5253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6352 2.3296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1496 2.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 2.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3326 3.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 2.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 1.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 2.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0876 0.2805 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 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 2 0 0 0 0 5 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 4 12 1 6 0 0 0 12 13 2 0 0 0 0 2 14 1 6 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 1 16 1 6 0 0 0 14 17 1 0 0 0 0 M END > NP0063993 > NP-MRD > CC1=CC[C@@H]2[C@H]1C[C@H]1[C@H](CC2=C)OC(=O)C1=C > InChI=1S/C15H18O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h4,11-14H,2-3,5-7H2,1H3/t11-,12-,13+,14-/m0/s1 > KREYKRAJLBRHAZ-FQUUOJAGSA-N > C15H18O2 > 230.307 > 230.13067982 > 1 > 35 > 25.702419956046683 > 1 > 0 > 0 > 1 > (3aR,4aR,7aR,9aS)-5-methyl-3,8-dimethylidene-2H,3H,3aH,4H,4aH,7H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2-one > 3.54 > 2.939367817 > -3.09 > 0 > 3 > 0 > -6.865317713729072 > 26.3 > 67.1209 > 0 > 1 > 1.87e-01 g/l > (3aR,4aR,7aR,9aS)-5-methyl-3,8-dimethylidene-3aH,4H,4aH,7H,7aH,9H,9aH-azuleno[6,5-b]furan-2-one > 1 > NP0063993 > Ziniolide $$$$