Mrv1652309032213582D 24 27 0 0 1 0 999 V2000 6.7722 -0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 0.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0276 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 -0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9911 0.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4174 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 0.8569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3495 0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 0.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 2.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0148 2.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 1.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.3921 0.0000 O 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 2 4 1 0 0 0 0 4 5 2 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 1 0 0 0 0 8 10 2 0 0 0 0 4 10 1 0 0 0 0 10 11 1 0 0 0 0 12 7 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 12 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0174685 > NP-MRD > CC(C)C1=CC2=C(C(O)=C1O)[C@@]13CCCC(C)(C)C1CC2OC3=O > InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13?,14?,20-/m1/s1 > XUSYGBPHQBWGAD-RUZSNYSVSA-N > C20H26O4 > 330.424 > 330.183109317 > 3 > 50 > 35.85716898460323 > 1 > 2 > 0 > 1 > (1R)-3,4-dihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one > 4.35 > 4.575294142333332 > -3.92 > 0 > 4 > 0 > 12.853185894259418 > 9.18507529801697 > -6.051906167096008 > 66.75999999999999 > 91.42909999999998 > 1 > 1 > 3.95e-02 g/l > (1R)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one > 0 > NP0174685 > (1r)-3,4-dihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one $$$$