Mrv1533004251510092D 39 42 0 0 0 0 999 V2000 -1.0103 -0.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2188 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 -1.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8655 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6901 -0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2957 0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 0.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5768 0.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7971 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7234 -0.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 -1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1873 -0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 0.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 -1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 -2.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 -3.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8908 -3.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -4.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 -3.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -5.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 -5.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1612 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -5.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5809 -4.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 -5.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0119 -6.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7687 -6.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 -6.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 -7.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 -6.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 -6.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 2 0 0 0 0 20 15 1 4 0 0 0 20 21 2 0 0 0 0 22 21 1 4 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 28 37 1 0 0 0 0 37 38 1 0 0 0 0 8 39 1 0 0 0 0 M END > NP0317224 > NP-MRD > CC(=O)OC12CCC(C)=CCC11CCC2C(C)(OC1=O)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C28H38O11/c1-15-7-11-27-12-9-19(28(27,13-8-15)38-17(3)30)26(4,39-25(27)35)10-5-6-16(2)23(34)37-24-22(33)21(32)20(31)18(14-29)36-24/h5-7,10,18-22,24,29,31-33H,8-9,11-14H2,1-4H3 > IVYWRYGMQNKDQB-UHFFFAOYSA-N > C28H38O11 > 550.601 > 550.241412044 > 8 > 77 > 56.83789145217973 > 1 > 4 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate > 1.51 > 1.341951990999999 > -3.25 > 1 > 4 > 0 > 13.194438899494454 > 12.195723003645796 > -2.9810938228983064 > 169.04999999999998 > 137.0764 > 8 > 0 > 3.08e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate > 0 > NP0317224 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate $$$$