2882 -OEChem-10051719273D 50 53 0 0 0 0 0 0 0999 V2000 -2.0176 -2.3878 0.7642 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -2.9748 -0.6253 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -4.9343 -0.3633 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4532 2.4412 0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 1.3506 -0.8435 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 -1.0003 -1.3759 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -1.8747 1.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 4.7023 -0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 3.3050 0.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4332 3.8643 -2.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 2.4163 2.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 -4.3435 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 -3.4001 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -3.5992 -1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -1.1748 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 -1.8416 -1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 0.0202 0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 -0.8219 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1789 1.2378 1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 0.3134 -1.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 -1.1436 2.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 -1.7303 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 0.0178 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 -0.9188 0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 1.2655 2.7441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 0.4278 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 0.0732 3.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.5955 -3.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 1.3366 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3067 0.2218 1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8132 2.4233 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 1.2459 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 3.7165 -1.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 2.3618 1.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1321 -5.1379 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 -2.9872 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6509 -3.9573 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0914 -4.3207 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 -2.8852 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 -2.0417 3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -2.5098 -3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7579 2.2080 3.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 1.3067 -3.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2503 0.0919 4.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -0.5120 -4.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3977 -5.4286 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 1.3581 -2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 0.1714 2.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1317 5.5872 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0516 4.0717 0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 46 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 5 32 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 33 1 0 0 0 0 8 49 1 0 0 0 0 9 34 1 0 0 0 0 9 50 1 0 0 0 0 10 33 2 0 0 0 0 11 34 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 40 1 0 0 0 0 22 28 1 0 0 0 0 22 41 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 M END > DB01003 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IMZMKUWMOSJXDT-UHFFFAOYSA-N/SDF?record_type=3d > OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O > InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) > IMZMKUWMOSJXDT-UHFFFAOYSA-N > C23H16O11 > 468.3665 > 468.069261354 > 11 > 50 > -1.9999896329682205 > 44.380974512821965 > 1 > 3 > 0 > 1 > 5-{3-[(2-carboxy-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid > 1.84 > 1.4770116999999996 > -4.12 > 1 > -2 > 4 > -2 > 2.2168114575698765 > 1.6147516357967955 > -3.3926272161178637 > 165.89 > 114.10670000000003 > 8 > 0 > 3.58e-02 g/l > biotin > 0 $$$$