98 98 0 0 1 0 0 0 0 0999 V2000 21.3500 -16.3800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5400 -15.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8000 -16.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9900 -15.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1800 -16.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4400 -15.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6300 -16.3800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.8200 -15.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0800 -16.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2700 -15.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.4600 -16.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3500 -17.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1600 -18.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5400 -18.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1600 -19.8800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9700 -20.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9700 -21.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7800 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -20.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4000 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -21.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -23.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4000 -24.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7800 -24.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0400 -23.3800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2300 -24.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4200 -23.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6800 -24.0800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8700 -23.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0600 -24.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3200 -23.3800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5100 -24.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 -23.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9600 -24.0800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1500 -23.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7800 -25.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -26.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3300 -25.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -27.5800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2300 -25.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4200 -21.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6100 -21.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6100 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8700 -21.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0600 -25.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8700 -26.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2500 -26.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8700 -27.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5100 -25.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 -21.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5100 -21.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1500 -21.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9700 -17.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9700 -16.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1600 -15.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7800 -15.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5400 -14.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8000 -17.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1800 -17.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9900 -18.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3700 -18.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4400 -14.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8200 -14.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0100 -13.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0100 -12.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2000 -14.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0800 -17.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2100 -20.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7600 -20.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -20.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6900 -23.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8800 -22.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.4600 -17.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2700 -18.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6500 -18.4800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.6500 -19.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4600 -20.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2700 -19.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0400 -25.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3700 -25.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3500 -24.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7200 -26.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8653 -20.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0537 -19.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.6753 -15.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8637 -16.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0601 -15.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8580 -17.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2076 -22.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3924 -17.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7553 -13.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7553 -12.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9451 -14.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0577 -20.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8476 -24.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 1 12 1 0 0 0 12 13 1 0 0 0 12 14 2 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 24 36 1 1 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 39 2 0 0 0 26 40 2 0 0 0 27 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 29 44 2 0 0 0 30 45 1 0 0 0 45 46 1 0 0 0 45 47 1 1 0 0 46 48 1 0 0 0 32 49 2 0 0 0 33 50 1 1 0 0 50 51 1 0 0 0 35 52 2 0 0 0 13 53 1 6 0 0 53 54 1 0 0 0 54 55 1 0 0 0 54 56 1 0 0 0 2 57 1 6 0 0 3 58 2 0 0 0 5 59 1 0 0 0 59 60 1 0 0 0 59 61 1 1 0 0 6 62 2 0 0 0 8 63 1 6 0 0 63 64 1 0 0 0 64 65 1 0 0 0 64 66 1 0 0 0 9 67 2 0 0 0 20 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 35 74 1 0 0 0 74 75 1 0 0 0 11 76 1 0 0 0 76 77 2 0 0 0 76 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 2 0 0 0 80 75 1 0 0 0 74 82 1 1 0 0 82 83 1 0 0 0 83 84 1 0 0 0 83 85 1 0 0 0 79 86 1 6 0 0 86 87 1 0 0 0 11 88 1 6 0 0 88 89 1 0 0 0 89 90 1 0 0 0 89 91 1 0 0 0 27 92 1 1 0 0 5 93 1 6 0 0 57 94 1 0 0 0 94 95 1 0 0 0 94 96 2 0 0 0 41 97 1 1 0 0 30 98 1 6 0 0 M END > CHEBI:80022 > Arthrofactin > 2 > C64H111N11O20 > 1354.62780 > 1353.80069 > 0 > CCCCCCCC1CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(O)=O)C(=O)O1 > InChI=1S/C64H111N11O20/c1-15-18-19-20-21-22-39-27-48(79)65-40(23-32(4)5)54(84)68-44(28-49(80)81)58(88)75-53(38(14)78)63(93)69-43(26-35(10)11)55(85)66-41(24-33(6)7)56(86)71-46(30-76)59(89)67-42(25-34(8)9)57(87)72-47(31-77)60(90)73-52(37(13)17-3)62(92)74-51(36(12)16-2)61(91)70-45(29-50(82)83)64(94)95-39/h32-47,51-53,76-78H,15-31H2,1-14H3,(H,65,79)(H,66,85)(H,67,89)(H,68,84)(H,69,93)(H,70,91)(H,71,86)(H,72,87)(H,73,90)(H,74,92)(H,75,88)(H,80,81)(H,82,83)/t36-,37-,38-,39?,40+,41+,42-,43+,44+,45-,46+,47+,51-,52-,53+/m0/s1 > HXMCERBOSXQYRH-KSVGBCIHSA-N > 152406-36-5 > C15686 $$$$