CDK 1030232203 76 83 0 0 0 0 0 0 0 0999 V2000 4.2868 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8578 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2872 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 -0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1123 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -2.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6512 0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2401 -2.0703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1730 1.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2137 -1.2457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5392 -2.5055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9319 1.3257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6773 1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9777 -1.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2736 -0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4864 -0.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5656 -3.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7491 -2.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 2.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 1.2593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5098 -0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6431 0.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0746 -0.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -1.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0469 2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4515 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2229 1.9382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5336 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3326 -0.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0581 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8692 2.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9497 1.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0452 1.8718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0317 -0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3378 3.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5139 2.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 4.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 3.2962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4528 4.7868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6289 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0992 5.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2752 4.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 6.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7438 5.3994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3901 6.1447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2142 6.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5661 5.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8588 6.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9198 4.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5051 7.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7421 4.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4511 3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6828 7.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9738 8.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 3.7759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8048 3.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6272 3.0970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9181 3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9808 2.3516 0.0000 O 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 4 2 1 0 0 0 0 5 4 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 5 8 1 1 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 6 0 0 0 10 14 1 6 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 17 14 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 19 21 2 3 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 24 21 1 1 0 0 0 23 25 2 0 0 0 0 26 24 1 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 6 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 1 0 0 0 27 34 1 0 0 0 0 28 35 1 6 0 0 0 36 28 1 0 0 0 0 30 37 1 0 0 0 0 31 38 2 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 35 41 2 0 0 0 0 36 42 1 0 0 0 0 43 36 1 0 0 0 0 36 44 1 6 0 0 0 37 45 2 0 0 0 0 40 46 1 0 0 0 0 47 41 1 6 0 0 0 42 48 1 0 0 0 0 43 49 1 6 0 0 0 46 50 2 0 0 0 0 51 47 1 0 0 0 0 49 52 1 0 0 0 0 49 53 1 6 0 0 0 51 54 1 1 0 0 0 55 51 1 0 0 0 0 56 54 1 6 0 0 0 55 57 1 6 0 0 0 56 58 1 0 0 0 0 56 59 1 0 0 0 0 60 58 1 0 0 0 0 61 59 1 0 0 0 0 62 60 1 0 0 0 0 60 63 1 6 0 0 0 61 64 1 1 0 0 0 62 65 1 1 0 0 0 66 64 1 1 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 66 69 1 0 0 0 0 67 70 2 0 0 0 0 67 71 1 0 0 0 0 72 68 1 0 0 0 0 69 73 1 0 0 0 0 74 72 1 0 0 0 0 72 75 1 6 0 0 0 74 76 1 1 0 0 0 10 12 1 0 0 0 0 34 40 2 0 0 0 0 37 39 1 0 0 0 0 39 42 2 3 0 0 0 43 47 1 0 0 0 0 52 55 1 0 0 0 0 61 62 1 0 0 0 0 73 74 1 0 0 0 0 M CHG 1 2 1 M CHG 1 3 -1 M END > CHEBI:225057 > Tetrocarcin F > 2 > [(2R,3R,4S,6R)-6-[[(1S,5S,6S,9R,11Z,13S,16S,17S,18R,20S,21S,22R)-3-ormyl-5,23-dihydroxy-9-[(2R,4S,5S,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-17-yl]oxy]-4-[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate > C55H76N2O19 > 1069.208 > 1068.50423 > 0 > O=[N+]([O-])[C@@]1([C@H](NC(=O)OC)[C@H](O[C@H](C1)O[C@H]2C(=C[C@@H]3[C@@]4(OC(=O)C(C4=O)=C([C@]5([C@H](C(=CC2)C)C=C[C@@H]6[C@@H](O[C@@H]7O[C@@H]([C@@H](OC(=O)C)[C@H](C7)O[C@H]8O[C@@H]([C@@H](O)CC8)C)C)[C@H](C)C[C@@H]([C@H]56)C)C)O)CC(C=O)=C[C@@H]3O)C)C)C > InChI=1S/C55H76N2O19/c1-25-12-16-39(73-43-23-53(9,57(66)67)48(31(7)71-43)56-52(65)68-11)26(2)19-36-38(61)20-33(24-58)22-55(36)50(63)44(51(64)76-55)49(62)54(10)35(25)14-13-34-45(54)27(3)18-28(4)46(34)75-42-21-40(47(30(6)70-42)72-32(8)59)74-41-17-15-37(60)29(5)69-41/h12-14,19-20,24,27-31,34-43,45-48,60-62H,15-18,21-23H2,1-11H3,(H,56,65)/b25-12-,26-19?,49-44?/t27-,28+,29+,30+,31+,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,45-,46-,47+,48+,53-,54-,55-/m0/s1 > VNMRZYMWGLJOHX-LRSZROQDSA-N $$$$