CDK 1018121545 50 54 0 0 0 0 0 0 0 0999 V2000 -4.1556 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4419 0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7255 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4437 1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 1.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8704 2.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1295 1.4478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8424 1.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 1.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2714 1.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 2.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 0.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4169 0.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 0.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 -0.5745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6949 -0.6597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0286 0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1085 -1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -2.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 -2.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9302 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1226 1.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 -2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5858 -2.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3476 -3.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4632 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6382 -1.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 -2.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 -2.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 -2.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -1.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 -1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4862 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -3.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 -3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 -2.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 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 26 22 1 0 0 0 0 12 13 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 2 7 1 0 0 0 0 29 30 2 0 0 0 0 14 15 1 0 0 0 0 30 31 1 0 0 0 0 3 4 2 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 25 27 1 1 0 0 0 15 16 1 0 0 0 0 20 33 1 0 0 0 0 1 8 1 0 0 0 0 33 34 1 0 0 0 0 16 17 1 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 12 18 2 0 0 0 0 30 37 1 0 0 0 0 8 9 1 0 0 0 0 24 38 1 6 0 0 0 17 19 2 0 0 0 0 38 39 1 0 0 0 0 19 23 1 0 0 0 0 39 40 1 0 0 0 0 4 5 1 0 0 0 0 40 41 1 0 0 0 0 22 20 1 0 0 0 0 40 42 2 0 0 0 0 5 10 1 0 0 0 0 41 43 2 0 0 0 0 20 21 2 0 0 0 0 43 44 1 0 0 0 0 21 17 1 0 0 0 0 44 45 2 0 0 0 0 22 23 2 0 0 0 0 45 46 1 0 0 0 0 2 3 1 0 0 0 0 46 47 2 0 0 0 0 10 11 2 0 0 0 0 47 48 1 0 0 0 0 5 6 2 0 0 0 0 48 49 2 0 0 0 0 49 44 1 0 0 0 0 11 12 1 0 0 0 0 47 50 1 0 0 0 0 M END > CHEBI:70665 > (+)-boehmenan X > A natural product found in Durio carinatus and Durio oxleyanus. > 2 > (+)-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate > C39H38O11 > 682.71240 > 682.24141 > 0 > COc1cc(\C=C\C(=O)OCCCc2cc(OC)c3O[C@H]([C@H](COC(=O)\C=C\c4ccc(O)cc4)c3c2)c2ccc(O)c(OC)c2)ccc1O > InChI=1S/C39H38O11/c1-45-33-20-25(8-14-31(33)41)10-17-36(43)48-18-4-5-26-19-29-30(23-49-37(44)16-9-24-6-12-28(40)13-7-24)38(50-39(29)35(21-26)47-3)27-11-15-32(42)34(22-27)46-2/h6-17,19-22,30,38,40-42H,4-5,18,23H2,1-3H3/b16-9+,17-10+/t30-,38+/m1/s1 > KXKFYMOZFCYESW-PSQUMQRJSA-N $$$$