2733489 -OEChem-04192415292D 108107 0 1 0 0 0 0 0999 V2000 8.5991 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -5.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -5.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 6.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 3.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 4.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 5.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -4.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -5.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -5.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -5.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 5.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 5.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 6.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 1 33 1 0 0 0 0 17 2 1 6 0 0 0 2 34 1 0 0 0 0 32 3 1 1 0 0 0 3 94 1 0 0 0 0 4 33 2 0 0 0 0 5 34 2 0 0 0 0 39 6 1 6 0 0 0 6102 1 0 0 0 0 7 46 1 0 0 0 0 7105 1 0 0 0 0 8 47 1 0 0 0 0 8106 1 0 0 0 0 9 46 2 0 0 0 0 10 47 2 0 0 0 0 11 48 1 0 0 0 0 11107 1 0 0 0 0 12 49 1 0 0 0 0 12108 1 0 0 0 0 13 48 2 0 0 0 0 14 49 2 0 0 0 0 42 15 1 1 0 0 0 15103 1 0 0 0 0 15104 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 6 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 1 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 30 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 31 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 38 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 32 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 35 39 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 40 36 1 6 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 41 37 1 6 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 42 1 0 0 0 0 39 90 1 0 0 0 0 40 43 1 0 0 0 0 40 46 1 0 0 0 0 40 91 1 0 0 0 0 41 44 1 0 0 0 0 41 47 1 0 0 0 0 41 92 1 0 0 0 0 42 45 1 0 0 0 0 42 93 1 0 0 0 0 43 48 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 49 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 M END > 2733489 > 1 > 1040 > 15 > 7 > 31 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADTzhgAYCCABABgAIAACQCAAAAAAAAAAAAIEAAAADEBIAgAACQAAFEAACAAH75ugOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R)-2-[2-[(1S,3S,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-10,12-dihydroxy-3-methyl-tetradecoxy]-2-oxo-ethyl]butanedioic acid > (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxy-1-oxobutoxy]-16,18-dihydroxy-5,9-dimethyleicosan-7-yl]oxy-2-oxoethyl]butanedioic acid > (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid > (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid > (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-azanyl-6-[(3R)-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-16,18-bis(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid > (2R)-2-[2-[(1S,3S,10R,12S,13S)-13-amino-1-[(1R,2R)-1-[(3R)-3,4-dicarboxybutanoyl]oxy-2-methyl-hexyl]-10,12-dihydroxy-3-methyl-tetradecoxy]-2-keto-ethyl]succinic acid > InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1 > UXDPXZQHTDAXOZ-STOIETHLSA-N > 1.2 > 705.39355556 > C34H59NO14 > 705.8 > CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O > CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O > 268 > 705.39355556 > 0 > 49 > 9 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 1 6 42 15 5 19 24 6 17 2 6 20 25 5 32 3 5 40 36 6 41 37 6 39 6 6 $$$$