CDK 1028232201 89 89 0 0 0 0 0 0 0 0999 V2000 17.2910 4.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5385 3.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7987 2.9268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1260 4.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8960 2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5781 5.0409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7950 4.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8265 1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7209 2.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9173 5.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5476 4.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7116 5.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6372 1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5928 0.4943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1454 1.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1213 2.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3418 6.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1706 5.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2047 -0.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3685 6.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4440 6.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6779 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8897 -0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5440 6.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9066 7.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2563 -1.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0342 -1.3846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6304 -0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4883 6.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 5.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0958 7.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1800 8.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2997 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3154 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 5.6685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5105 6.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9908 8.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6426 8.6944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5046 -1.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2597 -1.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0560 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2694 5.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6434 -2.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6815 -2.0364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7410 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7534 5.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6811 4.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8640 -1.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4817 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2213 3.9570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0461 5.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0857 -1.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1667 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9088 3.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 4.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3783 -1.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9074 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1176 3.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7564 2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1338 4.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 5.4089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8843 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7708 -0.6691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5924 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7703 1.5578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 2.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3331 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 1.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0181 -1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1672 0.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8138 1.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 1.8447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7588 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -7.8375 0.0000 C 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 14 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 39 43 2 0 0 0 0 39 44 1 0 0 0 0 41 45 1 0 0 0 0 42 46 2 0 0 0 0 42 47 1 0 0 0 0 44 48 1 0 0 0 0 45 49 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 48 52 1 0 0 0 0 49 53 1 0 0 0 0 50 54 1 0 0 0 0 51 55 1 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 54 58 2 0 0 0 0 54 59 1 0 0 0 0 55 60 2 0 0 0 0 55 61 1 0 0 0 0 56 62 2 0 0 0 0 56 63 1 0 0 0 0 57 64 1 0 0 0 0 59 65 1 0 0 0 0 59 66 1 0 0 0 0 63 67 1 0 0 0 0 64 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 68 72 1 0 0 0 0 69 73 2 0 0 0 0 70 74 2 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 67 69 1 0 0 0 0 M END > CHEBI:198350 > Arborcandin B > 2 > 3-[5,8-bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-2-(8-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclohentriacont-14-yl]-2-hydroxypropanamide > C58H103N13O18 > 1270.535 > 1269.75440 > 0 > O=C1NC(C(=O)NC(C(=O)NCC(=O)NCCC(=O)NC(CCCCCCCC(O)CCCCC)C(NC(C(NC(C(NC(C(NC(C(NC1C(O)C)=O)CC(O)C(=O)N)=O)C)=O)CC(=O)N)=O)CC(=O)N)=O)CCC(O)CCCCCCCCC)C(O)C > InChI=1S/C58H103N13O18/c1-6-8-10-11-12-14-19-23-37(75)25-26-39-52(83)63-32-47(80)62-28-27-46(79)65-38(24-20-16-13-15-18-22-36(74)21-17-9-7-2)53(84)68-42(31-45(60)78)55(86)69-41(30-44(59)77)54(85)64-33(3)51(82)67-40(29-43(76)50(61)81)56(87)70-49(35(5)73)58(89)71-48(34(4)72)57(88)66-39/h33-43,48-49,72-76H,6-32H2,1-5H3,(H2,59,77)(H2,60,78)(H2,61,81)(H,62,80)(H,63,83)(H,64,85)(H,65,79)(H,66,88)(H,67,82)(H,68,84)(H,69,86)(H,70,87)(H,71,89) > VZFZGDKKOUEQOZ-UHFFFAOYSA-N $$$$