445995 -OEChem-10051719573D 39 38 0 1 0 0 0 0 0999 V2000 2.8634 0.9472 0.7991 P 0 0 2 0 0 0 0 0 0 0 0 0 2.3461 -1.4485 -0.8277 P 0 0 0 0 0 0 0 0 0 0 0 0 1.2776 1.2571 0.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0624 -0.0474 -0.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -0.0158 2.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 2.1664 0.7641 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8534 -2.4387 0.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 -1.9540 -2.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8576 -1.3655 -0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 1.9242 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0705 0.6197 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 1.7137 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 -0.2657 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 2.1239 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5588 1.0179 -2.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1385 -1.5542 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6786 1.9828 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -2.2808 1.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1732 -2.3824 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 2.5343 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3645 2.5090 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 0.1137 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1023 0.8758 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 0.2158 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 2.6345 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 1.2464 -2.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 -0.0667 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.3353 -2.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 2.9782 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 1.4709 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 -2.6265 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -1.6478 2.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -3.1504 2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 -3.2670 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 -1.8554 -1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1622 -2.7189 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 0.3875 2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -3.3452 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 -2.7619 -2.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 17 1 0 0 0 0 5 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > DB02552 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GVVPGTZRZFNKDS-JXMROGBWSA-N/SDF?record_type=3d > CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O > InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+ > GVVPGTZRZFNKDS-JXMROGBWSA-N > C10H20O7P2 > 314.2091 > 314.068426018 > 5 > 39 > -2.430133976796533 > 28.51754860324528 > 1 > 3 > 0 > 1 > [({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid > 1.63 > 1.9570187856666668 > -2.54 > 0 > -2 > 0 > -3 > 3.2043406094078315 > 1.7672186885241006 > 113.29000000000002 > 72.92789999999998 > 8 > 1 > 9.02e-01 g/l > biotin > 0 $$$$