Mrv1909 08181923252D 79 81 0 0 0 0 999 V2000 -6.1673 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5802 -0.9959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4013 -0.9959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1998 2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5802 0.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8190 -0.2818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4808 2.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2046 1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 1.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 1.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4013 0.4322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9140 2.9099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 -2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4977 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0524 2.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -2.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9285 0.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3383 2.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -1.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 1.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9513 2.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7884 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9091 3.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 2.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 2.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4977 -1.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8089 2.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8142 -1.7101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0475 3.7164 0.0000 O 0 0 0 0 0 0 0 0 0 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0 0 0 0 -3.4905 1.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6281 2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -3.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -3.7358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 -2.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0743 -3.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -2.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8137 3.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 3.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6145 3.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8142 1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 2.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 2.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6450 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 31 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 23 1 0 0 0 0 15 14 1 0 0 0 0 16 7 1 0 0 0 0 17 10 1 0 0 0 0 1 18 1 0 0 0 0 19 25 1 0 0 0 0 20 16 1 0 0 0 0 21 11 1 0 0 0 0 22 21 1 0 0 0 0 23 27 1 0 0 0 0 24 15 1 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 76 1 0 0 0 0 29 10 2 0 0 0 0 30 38 1 0 0 0 0 31 55 1 0 0 0 0 32 13 2 0 0 0 0 33 39 1 0 0 0 0 34 37 1 0 0 0 0 35 30 1 0 0 0 0 36 15 2 0 0 0 0 37 26 1 0 0 0 0 38 33 1 0 0 0 0 39 34 1 0 0 0 0 3 40 1 1 0 0 0 41 20 2 0 0 0 0 42 51 2 0 0 0 0 43 42 1 0 0 0 0 44 43 2 0 0 0 0 45 44 1 0 0 0 0 46 45 2 0 0 0 0 47 46 1 0 0 0 0 48 47 2 0 0 0 0 49 48 1 0 0 0 0 50 49 2 0 0 0 0 51 53 1 0 0 0 0 52 50 1 0 0 0 0 53 54 2 0 0 0 0 54 25 1 0 0 0 0 55 52 2 0 0 0 0 56 28 2 0 0 0 0 57 35 2 0 0 0 0 2 58 1 1 0 0 0 59 24 2 0 0 0 0 60 24 1 0 0 0 0 6 61 1 6 0 0 0 62 7 1 0 0 0 0 63 8 1 0 0 0 0 64 13 1 0 0 0 0 65 68 1 0 0 0 0 66 65 1 0 0 0 0 67 59 1 0 0 0 0 68 60 2 0 0 0 0 69 23 1 0 0 0 0 70 39 1 0 0 0 0 71 38 1 0 0 0 0 72 37 1 0 0 0 0 12 73 1 1 0 0 0 74 77 1 0 0 0 0 75 21 1 0 0 0 0 76 74 1 0 0 0 0 77 35 1 0 0 0 0 78 27 1 0 0 0 0 79 31 1 0 0 0 0 6 3 1 0 0 0 0 28 17 1 0 0 0 0 65 67 2 0 0 0 0 M END > DB01152 > drugbank > CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(O)CC(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1 > InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1 > OPGSFDUODIJJGF-JBUZINEHSA-N > C59H84N2O18 > 1109.317 > 1108.571913873 > 19 > 163 > 118.61397677251071 > 0 > 11 > 0 > 0 > (23E,25E,27E,29E,31E,33E,35E)-22-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid > -0.76 > -0.028119118470332462 > -5.19 > 1 > 3 > 0 > 10.146986061481469 > 3.6844941739164736 > 9.071718053390988 > 364.22 > 302.1224999999999 > 10 > 0 > 7.14e-03 g/l > candicidin D > 0 > DB01152 > APRD00843 > approved; withdrawn > Candicidin > Candicidin; Candicidina; Candicidine; Candicidinum; Candizidin; Levorin; Levorina; Levorine; Levorinum > Vanobid $$$$