CDK 1030232202 78 81 0 0 0 0 0 0 0 0999 V2000 3.6266 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 0.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 3.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 -0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 3.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -1.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 4.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7337 -1.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 5.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 5.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4813 -2.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 5.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 -2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 O 0 0 0 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 6.7337 6.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 -2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4813 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 -2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 O 0 0 0 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 7.1992 7.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 7.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 -2.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 7.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 -1.7323 0.0000 C 0 0 0 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 -0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1001 7.9244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 7.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1424 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7257 -0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0010 7.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4666 6.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1989 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3351 6.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5476 0.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4784 5.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2451 6.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9671 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 1.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2536 4.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7424 6.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8856 5.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5476 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3743 6.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 3.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6608 5.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5736 3.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8040 4.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2928 5.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1039 2.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8217 1.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9163 2.8429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3520 1.2924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1985 3.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4466 2.2108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1645 1.4356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0699 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2591 2.3541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6948 0.8036 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 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 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 1 0 0 0 0 8 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 40 45 2 0 0 0 0 43 46 1 0 0 0 0 44 47 2 0 0 0 0 45 48 1 0 0 0 0 46 49 1 0 0 0 0 46 50 1 0 0 0 0 47 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 2 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 54 58 1 0 0 0 0 56 59 1 0 0 0 0 57 60 2 0 0 0 0 58 61 1 0 0 0 0 58 62 1 0 0 0 0 59 63 1 0 0 0 0 60 64 1 0 0 0 0 61 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 2 0 0 0 0 65 68 1 0 0 0 0 66 69 1 0 0 0 0 69 70 1 0 0 0 0 71 69 1 0 0 0 0 72 70 1 0 0 0 0 71 73 1 1 0 0 0 74 71 1 0 0 0 0 75 72 1 0 0 0 0 72 76 1 1 0 0 0 74 77 1 1 0 0 0 75 78 1 6 0 0 0 41 45 1 0 0 0 0 59 61 1 0 0 0 0 62 64 1 0 0 0 0 74 75 1 0 0 0 0 M END > CHEBI:222168 > 3874 H1 > 2 > (19E,21E,23Z,25Z,27E,29E,31E)-33-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,11,13,37-heptahydroxy-18-methyl-15-oxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid > C58H86N2O18 > 1099.322 > 1098.58756 > 0 > O=C1OC(C(C=CC=CC=CC=CC=CC=CC=CC(OC2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)N)C)CC3OC(CC(CC(CC(CCCC(CC(C1)O)O)O)O)O)(O)CC(O)C3C(=O)O)C)C(CCC(O)CC(=O)C4=CC=C(N)C=C4)C > InChI=1S/C58H86N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-43(64)27-40(61)18-16-19-41(62)28-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-46,48-49,51-55,57,61-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4-,8-6-,9-7-,12-10-,13-11-,17-14-,20-15-/t35?,36?,37-,40?,41?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57?,58?/m1/s1 > FNCPECYULVHYCJ-HZELZPILSA-N $$$$