444727 -OEChem-10051720013D 71 73 0 1 0 0 0 0 0999 V2000 -0.1085 -3.2875 1.2104 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 1.3844 -0.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 3.2735 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8794 1.5136 -0.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 -0.9770 -0.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 -1.2677 -0.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 1.3801 2.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7204 4.0415 -1.2244 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9564 -0.8836 -2.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 -0.8873 -1.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2524 -0.4100 -1.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 1.5634 -0.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4176 -1.6174 1.3346 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 -1.5323 1.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 5.8584 0.5618 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -2.3370 1.8085 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -3.4218 -2.1641 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6497 -4.7757 1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 -3.1666 -0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2725 -2.9896 1.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 1.9051 -0.2788 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2979 1.2271 0.8266 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1291 3.4224 -0.0850 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0879 1.8574 0.9550 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3014 3.9510 0.0804 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5847 0.2931 0.0311 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5507 0.2226 -1.0742 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9606 0.1379 -1.6566 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7916 -0.4368 -1.2973 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9841 -0.1982 -0.5707 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9274 0.6066 0.6932 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5566 -1.4406 0.2128 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1160 -1.2776 0.7137 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7086 -1.6495 -1.0947 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7930 -0.6479 0.7993 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3125 5.4405 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 -2.5524 1.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -2.3221 -2.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 1.7134 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 0.1545 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7465 3.6772 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 1.5045 1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8776 3.8119 -0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0002 -0.3689 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 0.2672 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 1.0764 -2.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2097 0.2539 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1003 0.6486 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 1.0490 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6557 -2.3302 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0522 -0.4674 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2255 -2.4010 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 -0.3701 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1549 6.0328 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 5.6318 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.3949 0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -2.8040 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 0.8825 2.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1812 3.8196 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1496 -2.6850 -2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 -1.6319 -3.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 -0.6038 -3.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1392 -1.4743 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4861 0.4033 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 1.7724 0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3393 -0.8313 1.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -2.0654 2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6406 6.8066 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -3.8321 -3.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 -5.5435 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3427 -3.6185 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 2 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 24 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 22 1 0 0 0 0 7 58 1 0 0 0 0 8 23 1 0 0 0 0 8 59 1 0 0 0 0 9 28 1 0 0 0 0 9 62 1 0 0 0 0 10 29 1 0 0 0 0 10 63 1 0 0 0 0 11 30 1 0 0 0 0 11 64 1 0 0 0 0 12 31 1 0 0 0 0 12 65 1 0 0 0 0 13 32 1 0 0 0 0 13 66 1 0 0 0 0 14 35 1 0 0 0 0 14 67 1 0 0 0 0 15 36 1 0 0 0 0 15 68 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 36 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 34 1 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 35 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 34 38 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 54 1 0 0 0 0 36 55 1 0 0 0 0 37 56 1 0 0 0 0 37 57 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 M END > DB02755 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HDQMHAJOIVYOIP-NAVBLJQLSA-N/SDF?record_type=3d > [H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])O)[C@]1([H])O > InChI=1S/C18H33O19P/c19-1-4-8(22)14(12(26)16(28)33-4)36-18-13(27)15(9(23)5(2-20)34-18)37-17-11(25)10(24)7(21)6(35-17)3-32-38(29,30)31/h4-28H,1-3H2,(H2,29,30,31)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 > HDQMHAJOIVYOIP-NAVBLJQLSA-N > C18H33O19P > 584.417 > 584.135365386 > 18 > 71 > -1.9186582709151965 > 50.38348789265899 > 0 > 12 > 0 > 0 > {[(2R,3S,4S,5S,6R)-6-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2S,3S,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}phosphonic acid > -2.38 > -6.5977765406666675 > -1.06 > 1 > -2 > 3 > -2 > 6.2487325418596775 > 1.2229148948756479 > -3.6552454517382773 > 315.2100000000001 > 111.62289999999999 > 9 > 0 > 5.08e+01 g/l > biotin > 0 $$$$