Mrv1533004251514572D 32 37 0 0 0 0 999 V2000 0.7239 3.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0347 2.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 2.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 3.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6774 2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 2.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7313 1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 0.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3047 0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9608 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 0.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1486 0.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 1.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1953 1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 2.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7092 2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 1.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 2.8554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 3.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 4.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0210 4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5274 4.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 3.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8256 2.7425 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 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 12 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 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 3 24 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 5 25 1 0 0 0 0 14 25 1 0 0 0 0 9 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 26 32 1 0 0 0 0 M END > NP0190914 > NP-MRD > COC1OC2CC3(C)C(CCC3(O)C3CCC4(O)CC(O)CCC14C23)C1=COC(=O)C=C1 > InChI=1S/C25H34O7/c1-22-12-18-20-17(25(22,29)10-7-16(22)14-3-4-19(27)31-13-14)6-8-23(28)11-15(26)5-9-24(20,23)21(30-2)32-18/h3-4,13,15-18,20-21,26,28-29H,5-12H2,1-2H3 > QSSCMAMORZNLEN-UHFFFAOYSA-N > C25H34O7 > 446.54 > 446.230453435 > 6 > 66 > 47.23164126530211 > 1 > 3 > 0 > 1 > 5-{10,14,16-trihydroxy-2-methoxy-6-methyl-3-oxapentacyclo[9.7.1.0¹,¹⁴.0⁴,¹⁹.0⁶,¹⁰]nonadecan-7-yl}-2H-pyran-2-one > 1.05 > 0.8957379133333332 > -3.34 > 0 > 6 > 0 > 14.386721710116234 > 13.810231407788713 > -2.7261342228810426 > 105.45000000000002 > 115.61139999999997 > 2 > 1 > 2.03e-01 g/l > 5-{10,14,16-trihydroxy-2-methoxy-6-methyl-3-oxapentacyclo[9.7.1.0¹,¹⁴.0⁴,¹⁹.0⁶,¹⁰]nonadecan-7-yl}pyran-2-one > 0 > NP0190914 > 5-{10,14,16-trihydroxy-2-methoxy-6-methyl-3-oxapentacyclo[9.7.1.0¹,¹⁴.0⁴,¹⁹.0⁶,¹⁰]nonadecan-7-yl}pyran-2-one $$$$