CDK 9/10/12,15:49 41 45 0 0 0 0 0 0 0 0999 V2000 1.7080 -2.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 -2.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 -4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 -3.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8164 -1.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 -1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4041 -2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 -4.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 -1.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7499 -1.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 -5.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6332 -0.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 -5.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 -3.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 -1.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 -4.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 -3.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -5.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4624 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 -3.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -3.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 -2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -3.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -4.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1576 -5.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 0.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -5.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 -5.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6499 -5.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7245 -3.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -6.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 1 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 16 9 1 0 0 0 0 17 13 2 0 0 0 0 18 9 1 0 0 0 0 19 5 2 0 0 0 0 20 6 2 0 0 0 0 21 10 1 0 0 0 0 22 27 1 0 0 0 0 23 16 1 0 0 0 0 15 24 1 6 0 0 0 25 3 1 0 0 0 0 26 21 1 0 0 0 0 27 8 1 0 0 0 0 4 28 1 6 0 0 0 29 18 1 0 0 0 0 8 30 1 1 0 0 0 31 29 1 0 0 0 0 32 14 1 0 0 0 0 33 24 1 0 0 0 0 34 32 1 0 0 0 0 33 35 1 1 0 0 0 21 36 1 6 0 0 0 31 37 1 6 0 0 0 38 33 1 0 0 0 0 10 39 1 6 0 0 0 9 40 1 1 0 0 0 16 41 1 6 0 0 0 2 7 1 0 0 0 0 11 14 2 0 0 0 0 22 26 2 0 0 0 0 16 17 1 0 0 0 0 31 23 1 0 0 0 0 M END > CHEBI:67872 > Maklamicin, (rel)- > A natural product found in Micromonospora species. > 2 > rel-(1S,3R,6R,8E,10R,11S,14S,16S,19R,20S)-25-Hydroxy-4-(hydroxymethyl)-3-[(2R)-2-hydroxypropyl]-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,8,12,22(25)-tetraene-21, 23-dione > C32H44O6 > 524.68820 > 524.31379 > 0 > [H][C@@]12C[C@@H](C)CC[C@@]1([H])[C@]1(C)C(=O)C3=C(O)[C@@]4(C[C@@H](C[C@@H](C)O)C(CO)=C[C@@]4(C)C\C=C\[C@@H](C)[C@]1([H])C=C2)OC3=O > InChI=1S/C32H44O6/c1-18-8-10-25-21(13-18)9-11-24-19(2)7-6-12-30(4)15-23(17-33)22(14-20(3)34)16-32(30)28(36)26(29(37)38-32)27(35)31(24,25)5/h6-7,9,11,15,18-22,24-25,33-34,36H,8,10,12-14,16-17H2,1-5H3/b7-6+/t18-,19+,20+,21+,22+,24-,25+,30+,31+,32+/m0/s1 > IQLRDTYLDFKBLR-KJURRLFSSA-N > 21388191 $$$$