44138083 -OEChem-05092413032D 77 76 0 1 0 0 0 0 0999 V2000 4.8671 7.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 9.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.6075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.1075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.6075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.1075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4881 6.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4881 7.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6221 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3541 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3541 9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4134 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8120 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4915 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2886 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9681 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3666 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0609 3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 3.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 2.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3531 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9321 1.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3121 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 3.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2000 6.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3531 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5800 4.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 5.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0851 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 5.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 6.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 6.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 5.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 4.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 4.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 6.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9321 9.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0851 8.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3121 7.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8911 8.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 7.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1421 10.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7435 9.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 10.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 70 1 0 0 0 0 2 28 2 0 0 0 0 3 33 1 0 0 0 0 3 77 1 0 0 0 0 25 4 1 6 0 0 0 4 64 1 0 0 0 0 4 65 1 0 0 0 0 5 27 1 0 0 0 0 5 32 2 0 0 0 0 6 32 1 0 0 0 0 6 73 1 0 0 0 0 6 74 1 0 0 0 0 7 32 1 0 0 0 0 7 75 1 0 0 0 0 7 76 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 26 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 26 29 1 0 0 0 0 26 63 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 31 69 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 M END > 44138083 > 1 > 672 > 5 > 5 > 10 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADijhgAYDCAJAAgCoAiDSLAAAAAEgAAAICIGAAAgKFBIAgQAAUAAEkAAIkAOYkcAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-amino-5-guanidino-pentanoic acid;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol > (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > (2S)-2-amino-5-guanidino-valeric acid;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol > InChI=1S/C20H30O.C6H14N4O2/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5;7-4(5(11)12)2-1-3-10-6(8)9/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3;4H,1-3,7H2,(H,11,12)(H4,8,9,10)/b9-6+,12-11+,16-8+,17-13+;/t;4-/m.0/s1 > MGFAVWMURAAEJP-IUVJYOEGSA-N > 460.34134128 > C26H44N4O3 > 460.7 > CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C.C(CC(C(=O)O)N)CN=C(N)N > CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C.C(C[C@@H](C(=O)O)N)CN=C(N)N > 148 > 460.34134128 > 0 > 33 > 1 > 0 > 4 > 0 > 0 > 2 > -1 > 1 5 255 > 25 4 6 $$$$