65309 -OEChem-11261910093D 37 37 0 1 0 0 0 0 0999 V2000 -1.0030 0.8470 -0.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -1.4867 -1.6196 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 1.7578 -0.1577 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4176 -1.6324 1.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2024 -3.0777 -0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 -1.0332 -1.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 2.7435 -0.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1676 4.3998 0.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1344 -1.0735 0.5402 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 -0.2168 0.3705 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3020 -0.0112 0.0185 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7545 -1.5085 -0.2123 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7850 1.3445 0.5616 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2463 -1.6901 0.0935 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7428 2.4069 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5176 2.1136 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 -3.0218 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 -1.4918 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4538 3.2239 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -2.5933 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2928 -0.2282 1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 0.0048 -1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -2.3625 0.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 1.2750 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8495 -0.8871 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 -1.4814 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 3.4314 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 -3.8621 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7508 -3.1274 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 -0.7363 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6566 1.1282 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 -0.6959 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -3.0624 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 -2.1752 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -3.3563 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 -3.9338 -0.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 3.4604 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 30 1 0 0 0 0 3 13 1 0 0 0 0 3 31 1 0 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 5 17 1 0 0 0 0 5 36 1 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 19 2 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 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 16 2 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > DB03991 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JINJZWSZQKHCIP-UFGQHTETSA-N/SDF?record_type=3d > [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 > JINJZWSZQKHCIP-UFGQHTETSA-N > C11H17NO8 > 291.2546 > 291.095416525 > 8 > 37 > 27.095569049648383 > 1 > 6 > 0 > 0 > (2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid > -2.20 > -3.688151996333333 > -0.65 > 0 > 1 > -1 > 12.535388498685679 > 3.3237562893998085 > -1.3610236362089199 > 156.55 > 64.11070000000001 > 5 > 0 > 6.52e+01 g/l > L-homoarginine > 0 $$$$