Marvin 10241210432D 67 73 0 0 0 0 999 V2000 -3.4345 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 -0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7209 -1.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 -0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7227 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -1.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4353 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 -3.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7211 -3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -3.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -2.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 0.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 -1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 -4.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1506 -3.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1492 -1.9069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -1.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 -1.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -1.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -3.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 -3.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 -1.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -1.8668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6071 -2.5899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7747 -2.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3541 -1.8928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7563 -1.1698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3300 -0.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -0.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 -4.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3953 -4.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 -4.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 -4.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -5.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4071 -6.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -6.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -5.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8527 -3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2569 -2.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8639 -4.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2837 -5.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 -5.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 -4.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 -3.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 -1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -1.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2148 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 0.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5653 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 -0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -6.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 -6.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 -5.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 -6.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -6.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3384 -4.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 1.6964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 0.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1704 -2.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1416 -3.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23 33 1 0 0 0 0 10 16 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 9 17 1 0 0 0 0 34 36 2 0 0 0 0 8 9 1 0 0 0 0 36 37 1 0 0 0 0 8 18 1 0 0 0 0 37 38 2 0 0 0 0 4 5 1 0 0 0 0 38 39 1 0 0 0 0 4 19 1 0 0 0 0 39 40 2 0 0 0 0 40 34 1 0 0 0 0 9 10 2 0 0 0 0 22 41 1 0 0 0 0 19 20 2 0 0 0 0 41 42 1 0 0 0 0 3 2 1 0 0 0 0 41 43 2 0 0 0 0 10 11 1 0 0 0 0 42 44 2 0 0 0 0 5 6 2 0 0 0 0 44 45 1 0 0 0 0 11 12 2 0 0 0 0 45 46 2 0 0 0 0 7 12 1 0 0 0 0 46 47 1 0 0 0 0 3 7 1 0 0 0 0 47 48 2 0 0 0 0 48 42 1 0 0 0 0 6 1 1 0 0 0 0 21 49 1 0 0 0 0 6 13 1 0 0 0 0 49 50 2 0 0 0 0 1 2 2 0 0 0 0 49 51 1 0 0 0 0 1 14 1 0 0 0 0 51 52 2 0 0 0 0 29 24 1 0 0 0 0 52 53 1 0 0 0 0 24 25 1 0 0 0 0 53 54 2 0 0 0 0 25 26 1 0 0 0 0 54 55 1 0 0 0 0 26 27 1 0 0 0 0 55 56 2 0 0 0 0 56 51 1 0 0 0 0 27 28 1 0 0 0 0 39 57 1 0 0 0 0 28 29 1 0 0 0 0 38 58 1 0 0 0 0 29 30 1 1 0 0 0 37 59 1 0 0 0 0 25 21 1 1 0 0 0 45 60 1 0 0 0 0 26 22 1 6 0 0 0 46 61 1 0 0 0 0 27 23 1 1 0 0 0 47 62 1 0 0 0 0 3 4 2 0 0 0 0 53 63 1 0 0 0 0 28 31 1 6 0 0 0 54 64 1 0 0 0 0 2 15 1 0 0 0 0 55 65 1 0 0 0 0 19 32 1 0 0 0 0 30 32 1 0 0 0 0 31 66 1 0 0 0 0 7 8 2 0 0 0 0 66 67 2 0 0 0 0 12 66 1 0 0 0 0 M END > CHEBI:4916 > eugeniin > An ellagitannin isolated from the dried flower buds of Eugenia caryophyllata. It exhibits α-glucosidase inhibitory activity and antiviral activity against acyclovir and phosphonoacetic acid (PAA)-resistant herpes simplex virus type 1 (HSV-1) as well as the wild-type HSV-1. > 3 > CHEBI:65872 > Tellimagrandin II; Eugeniin; Cornustannin 2; beta-D-Glucopyranose,cyclic4,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate)1,2,3-tris(3,4,5-trihydroxybenzoate); 1,2,3-trigalloyl-4,6-hexahydroxydiphenoyl beta-D-glucopyranose > (11aR,13S,14R,15S,15aR)-2,3,4,5,6,7-hexahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecine-13,14,15-triyl tris(3,4,5-trihydroxybenzoate) > C41H30O26 > 938.66130 > 938.10253 > 0 > Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 > InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1 > JCGHAEBIBSEQAD-UUUCSUBKSA-N > 58970-75-5 > 9038164 > C10224 > C00002920 > Tellimagrandin_II > 11259565; 14599517; 20922478; 8476228; 10737184 $$$$