Mrv1533004161504422D 61 61 0 0 0 0 999 V2000 -10.0026 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7184 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4328 6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0039 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7171 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 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 3 4 1 0 0 0 0 3 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 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 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 0 0 0 0 29 27 1 4 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 34 1 4 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 43 41 1 4 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0327942 > NP-MRD > CCC(C)CC(C)CC(C)C(OC1OC(COC(C)=O)C(O)C(O)C1O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C=C(C)C(O)C(C)C(=O)OCC(O)C(O)C(O)CO > InChI=1S/C45H80O16/c1-13-22(2)14-23(3)15-29(9)43(61-45-42(56)41(55)40(54)35(60-45)21-58-32(12)47)30(10)18-27(7)37(51)25(5)16-24(4)36(50)26(6)17-28(8)38(52)31(11)44(57)59-20-34(49)39(53)33(48)19-46/h16-18,22-23,25-26,29-31,33-43,45-46,48-56H,13-15,19-21H2,1-12H3 > GRDLKOZEWJLCMH-UHFFFAOYSA-N > C45H80O16 > 877.119 > 876.544636496 > 14 > 141 > 95.6427615521941 > 0 > 10 > 0 > 0 > 2,3,4,5-tetrahydroxypentyl 15-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4,8,12-trienoate > 2.43 > 2.4570621036666687 > -4.07 > 0 > 1 > 0 > 12.713669230338798 > 12.098866869753342 > -2.974203715160627 > 273.35999999999996 > 229.01920000000015 > 28 > 0 > 7.41e-02 g/l > 2,3,4,5-tetrahydroxypentyl 15-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4,8,12-trienoate > 0 > NP0327942 > 2,3,4,5-tetrahydroxypentyl 15-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4,8,12-trienoate $$$$