76684239 -OEChem-12232011203D 86 91 0 1 0 0 0 0 0999 V2000 0.7165 -5.3176 -0.7948 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3478 0.6609 0.7042 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 -0.0738 0.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0265 -2.0204 -0.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4336 2.3027 0.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2957 -1.5388 -2.8222 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 2.4887 -2.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6722 1.2818 -2.9163 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0094 -0.2419 -3.0732 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9514 3.3146 0.8307 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4809 -2.7604 0.3368 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -3.3959 0.4678 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -0.6392 0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -1.4130 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 -1.5962 1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 0.2070 0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1574 0.4671 0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 -2.5303 -0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 -2.7076 1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 1.5789 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 1.7393 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5184 -0.2244 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 0.3640 0.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 2.5288 0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 2.8989 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8246 -4.7621 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 0.7306 0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 1.5308 0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 2.0958 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 2.7871 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 -5.5862 1.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7614 -1.4073 -0.4655 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0403 2.2143 -0.2388 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8345 -0.6601 -1.7982 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8773 1.6881 -1.6658 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4569 -0.4633 0.6994 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4006 1.2785 0.7887 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7755 0.5403 -1.7032 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3384 0.2349 -1.7705 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9012 0.3140 0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 1.4423 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3836 1.4200 -0.5091 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6386 -0.6152 -0.7024 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0500 -0.0359 0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9327 1.3680 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3750 2.5598 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1653 -2.0478 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 -0.7313 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8425 -1.8844 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 -2.0890 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -1.0410 2.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -2.1317 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -3.1081 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 -3.3950 2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 -2.3114 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 -1.2828 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 -0.5995 0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 3.5883 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 3.8773 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 2.8371 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 3.6921 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 -5.2443 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -5.5290 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 -6.6339 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0283 -2.2199 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6383 3.2321 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8349 -0.3230 -2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8296 1.7669 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6596 -0.9895 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7536 1.5602 1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8128 0.1965 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 0.1798 -1.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3949 1.8700 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5587 -0.6651 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3745 2.1695 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4268 3.2185 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2332 -2.0655 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0030 -2.5507 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6846 -2.2945 -2.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3297 3.4063 -2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9287 -2.5475 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5081 2.7085 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7624 1.6175 -2.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0414 -0.2262 -3.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5967 4.0314 0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8326 -3.6669 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 36 1 0 0 0 0 2 42 1 0 0 0 0 3 37 1 0 0 0 0 3 43 1 0 0 0 0 4 32 1 0 0 0 0 4 81 1 0 0 0 0 5 33 1 0 0 0 0 5 82 1 0 0 0 0 6 34 1 0 0 0 0 6 79 1 0 0 0 0 7 35 1 0 0 0 0 7 80 1 0 0 0 0 8 38 1 0 0 0 0 8 83 1 0 0 0 0 9 39 1 0 0 0 0 9 84 1 0 0 0 0 10 46 1 0 0 0 0 10 85 1 0 0 0 0 11 47 1 0 0 0 0 11 86 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 27 2 0 0 0 0 22 56 1 0 0 0 0 23 28 2 0 0 0 0 23 57 1 0 0 0 0 24 29 2 0 0 0 0 24 58 1 0 0 0 0 25 30 2 0 0 0 0 25 59 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 40 1 0 0 0 0 28 30 1 0 0 0 0 28 41 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 33 66 1 0 0 0 0 34 38 1 0 0 0 0 34 67 1 0 0 0 0 35 39 1 0 0 0 0 35 68 1 0 0 0 0 36 44 1 0 0 0 0 36 69 1 0 0 0 0 37 45 1 0 0 0 0 37 70 1 0 0 0 0 38 42 1 0 0 0 0 38 71 1 0 0 0 0 39 43 1 0 0 0 0 39 72 1 0 0 0 0 40 44 3 0 0 0 0 41 45 3 0 0 0 0 42 46 1 0 0 0 0 42 73 1 0 0 0 0 43 47 1 0 0 0 0 43 74 1 0 0 0 0 46 75 1 0 0 0 0 46 76 1 0 0 0 0 47 77 1 0 0 0 0 47 78 1 0 0 0 0 M END > DB16400 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SFHMWDMKUYVSQJ-VECBPBMLSA-N/SDF?record_type=3d > [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C#CC1=CC=C2C3=CC=C(C=C3C3(CCN(CC3)C(C)=O)C2=C1)C#C[C@@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C35H39NO11/c1-18(39)36-12-10-35(11-13-36)23-14-19(4-8-25-29(40)33(44)31(42)27(16-37)46-25)2-6-21(23)22-7-3-20(15-24(22)35)5-9-26-30(41)34(45)32(43)28(17-38)47-26/h2-3,6-7,14-15,25-34,37-38,40-45H,10-13,16-17H2,1H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1 > SFHMWDMKUYVSQJ-VECBPBMLSA-N > C35H39NO11 > 649.693 > 649.25231108 > 11 > 86 > -1.5176937356625877e-05 > 70.13776386115711 > 0 > 8 > 0 > 0 > 1-[2,7-bis({2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl})spiro[fluorene-9,4'-piperidin]-1'-yl]ethan-1-one > 0.15 > -1.7708701780000005 > -4.20 > 1 > 0 > 6 > 0 > 12.650003055156724 > 12.148403994227406 > -2.9798847033096 > 200.60999999999999 > 172.688 > 6 > 0 > 4.11e-02 g/l > N-{4-[(2S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-phenylpropanamido]-2-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]ethyl]phenyl}sulfamic acid > 0 $$$$