Mrv1533004241516322D 42 48 0 0 0 0 999 V2000 -2.2759 -5.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4952 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 -3.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -3.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3956 -2.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 -2.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 -2.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2257 -3.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 -4.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -4.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -4.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0297 -4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -3.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -4.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -3.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5911 -3.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2124 -4.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4556 -3.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0315 -3.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 -4.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1878 -4.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 -5.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -4.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -5.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1129 -5.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3321 -6.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -5.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9301 -5.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 -5.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -5.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 -5.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 -5.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 -2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6912 -1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -1.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4118 -2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2523 -3.1055 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 2 0 0 0 0 6 8 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 9 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 14 15 1 0 0 0 0 15 16 2 0 0 0 0 14 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 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 17 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 12 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 9 35 1 0 0 0 0 35 36 1 0 0 0 0 2 36 1 0 0 0 0 22 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 37 42 1 0 0 0 0 M END > NP0191446 > NP-MRD > CC1CC(OC(C)=O)C2(O)OC3CC4(C=O)C5CCC6(C)C(C(O)CC6(O)C5CC=C4CC3OC2O1)C1=CC(=O)OC1 > InChI=1S/C31H40O11/c1-15-8-24(40-16(2)33)31(37)27(39-15)41-22-10-18-4-5-20-19(29(18,14-32)12-23(22)42-31)6-7-28(3)26(17-9-25(35)38-13-17)21(34)11-30(20,28)36/h4,9,14-15,19-24,26-27,34,36-37H,5-8,10-13H2,1-3H3 > XBXHDQRWHXSYNH-UHFFFAOYSA-N > C31H40O11 > 588.65 > 588.257062108 > 9 > 82 > 61.2518954167851 > 1 > 3 > 0 > 0 > 14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2,5-dihydrofuran-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1(25)-en-9-yl acetate > 1.06 > 0.6179029853333317 > -3.47 > 0 > 7 > -1 > 9.427214730723723 > 6.829921260555352 > -2.901436390856345 > 158.05 > 145.07400000000004 > 4 > 0 > 1.98e-01 g/l > 14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1(25)-en-9-yl acetate > 0 > NP0191446 > 14-formyl-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacos-1(25)-en-9-yl acetate $$$$