Mrv1652309082204562D 19 21 0 0 1 0 999 V2000 1.0366 -2.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 -1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4893 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 -0.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6352 -0.4476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1496 0.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 0.1974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3326 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 -0.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7338 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 -1.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 -1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 -1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 -1.2519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2684 -2.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 -1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8188 -1.2519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 1 0 0 0 6 19 1 0 0 0 0 M END > NP0260711 > NP-MRD > C[C@H]1C[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@]2(C)CC(=O)C(O)=C12 > InChI=1S/C15H18O4/c1-7-4-11-9(8(2)14(18)19-11)5-15(3)6-10(16)13(17)12(7)15/h7,9,11,17H,2,4-6H2,1,3H3/t7-,9-,11-,15-/m0/s1 > AIQTXUXPWWGCLO-NLLWCHETSA-N > C15H18O4 > 262.305 > 262.12050906 > 3 > 37 > 26.95018750432637 > 1 > 1 > 0 > 1 > (3aS,4aS,8S,9aS)-7-hydroxy-4a,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,5H,6H,8H,9H,9aH-azuleno[6,5-b]furan-2,6-dione > 1.9619113913333333 > 0 > 3 > 0 > 8.93977478170617 > -3.818002510475817 > 63.6 > 69.8554 > 0 > 1 > (3aS,4aS,8S,9aS)-7-hydroxy-4a,8-dimethyl-3-methylidene-3aH,4H,5H,8H,9H,9aH-azuleno[6,5-b]furan-2,6-dione > 0 > NP0260711 > (3as,4as,8s,9as)-7-hydroxy-4a,8-dimethyl-3-methylidene-3ah,4h,5h,8h,9h,9ah-azuleno[6,5-b]furan-2,6-dione $$$$