Marvin 09271209582D 39 40 0 0 0 0 999 V2000 17.9000 -16.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4917 -15.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0788 -16.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7833 -14.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7833 -15.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2074 -15.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2074 -14.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4954 -14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4954 -13.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9230 -14.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6363 -14.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3520 -14.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6339 -15.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0695 -15.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0652 -14.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7809 -14.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4942 -14.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4833 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8919 -18.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4754 -18.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8839 -19.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4674 -20.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8759 -20.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4595 -21.6118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7009 -20.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8673 -22.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3992 -23.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8992 -23.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6778 -23.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6589 -22.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3163 -22.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5744 -23.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2099 -14.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9231 -14.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2123 -13.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6388 -14.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7833 -13.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3520 -14.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0677 -14.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 6 0 0 0 19 20 2 0 0 0 0 7 10 1 0 0 0 0 20 21 1 0 0 0 0 4 5 1 0 0 0 0 21 22 2 0 0 0 0 10 11 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 23 25 2 0 0 0 0 4 8 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 11 13 2 0 0 0 0 5 2 1 0 0 0 0 5 14 1 6 0 0 0 2 6 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 26 2 0 0 0 0 12 15 2 0 0 0 0 30 31 1 0 0 0 0 6 7 2 0 0 0 0 27 32 2 0 0 0 0 15 16 1 0 0 0 0 17 33 1 0 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 16 17 1 0 0 0 0 33 35 1 0 0 0 0 2 1 1 0 0 0 0 34 36 1 0 0 0 0 1 18 2 0 0 0 0 16 37 1 0 0 0 0 8 9 2 0 0 0 0 36 38 1 0 0 0 0 18 19 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:66237 > TMC-1D > A polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E)-4,6-dimethyldec-2-enoyl group. TMC-1D is an antitumour antibiotic isolated from Streptomyces sp. A-230. > 3 > (2E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-4,6-dimethyldec-2-enamide > C30H40N2O7 > 540.64780 > 540.28355 > 0 > CCCCC(C)CC(C)\C=C\C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O > InChI=1S/C30H40N2O7/c1-4-5-10-20(2)17-21(3)12-15-28(38)31-22-19-30(39,26(36)18-25(22)35)16-9-7-6-8-11-27(37)32-29-23(33)13-14-24(29)34/h6-9,11-12,15-16,19-21,26,33,36,39H,4-5,10,13-14,17-18H2,1-3H3,(H,31,38)(H,32,37)/b7-6+,11-8+,15-12+,16-9+/t20?,21?,26-,30+/m1/s1 > VAHXVYDDBKCOFD-NGQXCVFISA-N > 8178776 > 9031666 $$$$