Marvin 02251315422D 46 49 0 0 1 0 999 V2000 7.0123 -5.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -6.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7135 -6.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 -6.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4560 -5.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7135 -5.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 -6.2572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0035 -6.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0035 -7.4947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3022 -7.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5598 -7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8584 -7.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1573 -7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4149 -7.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 -8.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7135 -7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4149 -8.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 -5.4323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0334 -4.7310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8584 -4.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 -3.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0961 -3.9885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5085 -4.6897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3334 -4.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2710 -5.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5085 -3.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0961 -5.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5296 -5.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 -5.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7034 -4.1948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5861 -9.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 -5.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7210 -7.9089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4386 -7.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4386 -6.6696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1658 -7.9146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0035 -8.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5463 -6.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0975 -2.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5117 -1.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2567 -2.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3289 -1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9229 -3.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0334 -3.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7459 -3.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 10 15 1 6 0 0 0 14 16 1 0 0 0 0 16 3 1 0 0 0 0 14 17 1 0 0 0 0 7 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 18 1 0 0 0 0 20 25 2 0 0 0 0 22 26 1 6 0 0 0 23 27 1 0 0 0 0 18 28 1 6 0 0 0 5 19 1 0 0 0 0 1 29 1 0 0 0 0 6 30 1 0 0 0 0 15 31 1 0 0 0 0 29 32 1 0 0 0 0 9 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 7 35 1 0 0 0 0 34 36 2 0 0 0 0 9 37 1 6 0 0 0 7 38 1 6 0 0 0 26 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 23 44 1 1 0 0 0 24 44 1 1 0 0 0 19 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > CHEBI:29515 > ansamitocin P3 > A polyketide antibiotic that is isolated from Actinosynnema pretiosum and also exhibits antitumour activity. > 3 > Maytansinol isobutyrate; C15003P3; Antibiotic C15003P3; ansamitocin P-3; 2'-De(acetylmethylamino)-2'-methylmaytansine > (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1(10,14).0(3,5)]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate > C32H43ClN2O9 > 635.14500 > 634.26571 > 0 > [H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)\C=C\C=C(C)\Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@@]1([H])[C@@H]2C > InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1 > OPQNCARIZFLNLF-JBHFWYGFSA-N > 66584-72-3 > 5416580 > 66584-72-3 > C12045 > C00018269 > LMPK04000039 > 11071278; 1517150; 1530630; 15533675; 15674857; 19609582; 20235129; 20980145; 21504911; 21907573; 2298279 $$$$