Mrv1652309072217162D 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 2 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 0 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 4.0136 -1.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0876 -2.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3054 -1.2519 0.0000 C 0 0 2 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 2 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 6 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 6 0 0 0 6 19 1 0 0 0 0 M END > NP0251921 > NP-MRD > CC1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)C(O)CC(O)C12 > InChI=1S/C15H22O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-13,16-17H,2,4-6H2,1,3H3/t7?,9-,10?,11-,12?,13?,15-/m1/s1 > BPUNWVGCTMEMKQ-PFQOCRRASA-N > C15H22O4 > 266.337 > 266.151809188 > 3 > 41 > 28.496876079185547 > 1 > 2 > 0 > 1 > (3aR,4aS,9aR)-5,7-dihydroxy-4a,8-dimethyl-3-methylidene-dodecahydroazuleno[6,5-b]furan-2-one > 1.093251262999999 > 0 > 3 > 0 > 15.146669843365892 > 14.409439954587558 > -2.870452030089698 > 66.76 > 69.4843 > 0 > 1 > (3aR,4aS,9aR)-5,7-dihydroxy-4a,8-dimethyl-3-methylidene-octahydro-3aH-azuleno[6,5-b]furan-2-one > 0 > NP0251921 > (3ar,4as,9ar)-5,7-dihydroxy-4a,8-dimethyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one $$$$