Mrv1533004191516102D 37 42 0 0 0 0 999 V2000 7.4067 1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7458 0.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3037 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3968 -1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3055 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0752 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 1.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5163 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 1.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2789 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 -0.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4198 -1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 -2.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5120 -2.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9697 -3.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -4.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 -5.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -4.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 -4.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 -5.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 -3.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 -3.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -2.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7872 -0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8245 -0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 1.2805 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 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 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 2 15 1 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 20 33 1 0 0 0 0 8 33 1 0 0 0 0 16 33 1 0 0 0 0 18 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 16 36 1 0 0 0 0 36 37 1 0 0 0 0 M END > NP0330401 > NP-MRD > CC1(C)CCC(O)C23COC(O)(C(O)C12)C12CC(CC(OC4OC(CO)C(O)C(O)C4O)C31)C(=C)C2O > InChI=1S/C26H40O11/c1-10-11-6-12(36-22-17(31)16(30)15(29)13(8-27)37-22)18-24-9-35-26(34,25(18,7-11)20(10)32)21(33)19(24)23(2,3)5-4-14(24)28/h11-22,27-34H,1,4-9H2,2-3H3 > AEHSHPSACZNIDN-UHFFFAOYSA-N > C26H40O11 > 528.595 > 528.257062108 > 11 > 77 > 53.67007763278339 > 0 > 8 > 0 > 0 > 12,12-dimethyl-6-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15-tetrol > -1.33 > -2.305689521333333 > -1.48 > 0 > 6 > 0 > 12.203831662891348 > 10.67584473554559 > -2.9721795609847304 > 189.52999999999997 > 125.06110000000002 > 3 > 0 > 1.74e+01 g/l > 12,12-dimethyl-6-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15-tetrol > 0 > NP0330401 > 12,12-dimethyl-6-methylidene-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15-tetrol $$$$