Marvin 09061214542D 42 44 0 0 0 0 999 V2000 -3.5862 -8.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -9.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -9.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 -9.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 -8.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 -8.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9087 -7.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -6.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -6.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 -9.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4956 -9.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -8.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 -8.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -7.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0743 -8.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6418 -8.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 -8.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 -7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6302 -6.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -7.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -6.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0944 -5.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 -4.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0717 -8.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 -6.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 -7.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 -6.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4919 -6.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2054 -7.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -6.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9141 -6.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -5.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -6.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1841 -4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 -4.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 -3.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 -5.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 -6.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 -4.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6311 -7.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 -3.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 -2.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 19 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 4 11 1 0 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 17 24 1 0 0 0 0 5 12 1 0 0 0 0 18 25 1 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 25 27 2 0 0 0 0 1 2 2 0 0 0 0 26 28 1 0 0 0 0 12 14 2 0 0 0 0 28 29 2 0 0 0 0 6 7 1 0 0 0 0 29 30 1 0 0 0 0 13 15 1 0 0 0 0 30 31 2 0 0 0 0 3 4 2 0 0 0 0 31 32 1 0 0 0 0 15 16 2 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 7 8 1 0 0 0 0 32 34 1 0 0 0 0 16 17 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 17 18 2 0 0 0 0 31 37 1 0 0 0 0 8 9 1 0 0 0 0 37 38 1 0 0 0 0 18 19 1 0 0 0 0 37 39 2 0 0 0 0 4 5 1 0 0 0 0 30 40 1 0 0 0 0 19 20 2 0 0 0 0 36 41 1 0 0 0 0 20 15 1 0 0 0 0 41 42 1 0 0 0 0 M END > CHEBI:65718 > cytonic acid B > A benzoate ester obtained by the formal condensation of the carboxy group of 4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoic acid with the 4-hydroxy group of 2,4-dihydroxy-6-pentylbenzoic acid (olivetolic acid). It is isolated from the endophytic fungi Cytonaema and acts as an inhibitor of human cytomegalovirus (hCMV) protease. > 3 > 4-({4-[(2,4-dihydroxy-6-propylbenzoyl)oxy]-2-hydroxy-6-propylbenzoyl}oxy)-2-hydroxy-6-pentylbenzoic acid > C32H36O10 > 580.62220 > 580.23085 > 0 > CCCCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(O)=O > InChI=1S/C32H36O10/c1-4-7-8-11-20-14-23(16-25(35)27(20)30(37)38)42-32(40)29-19(10-6-3)13-22(17-26(29)36)41-31(39)28-18(9-5-2)12-21(33)15-24(28)34/h12-17,33-36H,4-11H2,1-3H3,(H,37,38) > NUJLMXRQKUYQKE-UHFFFAOYSA-N > 8667710 > 10843568 $$$$