Mrv1652309122216262D 32 37 0 0 1 0 999 V2000 -5.3497 -3.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6491 -4.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1998 -5.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3417 -3.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -3.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0156 -4.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 -4.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6896 -4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8137 -5.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -4.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1398 -5.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -5.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 -5.5474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1283 -5.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7206 -5.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 -5.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9102 -3.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 -4.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2743 -4.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 -3.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -4.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1503 -3.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 -3.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -3.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 -4.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -4.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 -5.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -5.0757 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 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 9 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 8 25 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 6 0 0 0 19 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 18 32 1 0 0 0 0 M END > NP0329751 > NP-MRD > CC1(C)OC2=CC3=C(C=C2C=C1)[C@]1(O)[C@@H](O3)OC2=CC3=C(C=CC(C)(C)O3)C(O)=C2C1=O > InChI=1S/C25H22O7/c1-23(2)7-5-12-9-14-17(10-15(12)31-23)29-22-25(14,28)21(27)19-18(30-22)11-16-13(20(19)26)6-8-24(3,4)32-16/h5-11,22,26,28H,1-4H3/t22-,25+/m0/s1 > HMLFQVDHVQECID-WIOPSUGQSA-N > C25H22O7 > 434.444 > 434.136553048 > 7 > 54 > 46.83636879169067 > 1 > 2 > 0 > 1 > (1S,14S)-11,14-dihydroxy-7,7,20,20-tetramethyl-2,6,21,25-tetraoxahexacyclo[12.11.0.0^{3,12}.0^{5,10}.0^{15,24}.0^{17,22}]pentacosa-3,5(10),8,11,15(24),16,18,22-octaen-13-one > 4.541199759666666 > 0 > 6 > 0 > 10.442757295237056 > 8.392366391747416 > -4.384083506546826 > 94.45000000000002 > 116.9793 > 0 > 1 > (1S,14S)-11,14-dihydroxy-7,7,20,20-tetramethyl-2,6,21,25-tetraoxahexacyclo[12.11.0.0^{3,12}.0^{5,10}.0^{15,24}.0^{17,22}]pentacosa-3,5(10),8,11,15(24),16,18,22-octaen-13-one > 0 > NP0329751 > (1s,14s)-11,14-dihydroxy-7,7,20,20-tetramethyl-2,6,21,25-tetraoxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosa-3,5(10),8,11,15(24),16,18,22-octaen-13-one $$$$