Mrv1652306242119493D 68 71 0 0 0 0 999 V2000 -3.8828 4.6498 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 5.0406 -0.1948 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4642 3.9289 -0.1399 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3368 3.4033 1.2318 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3318 2.3510 1.4980 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4892 1.0272 0.8680 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5025 0.1872 1.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 0.2302 0.1379 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6920 -0.2482 0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -1.6294 0.5098 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9745 -2.2732 0.8340 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2626 -1.9756 2.1876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7655 -3.8002 0.7838 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9194 -4.4475 1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.8709 -0.8579 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3384 -3.0481 -0.9094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 -0.7372 -1.0105 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4970 -0.0596 -2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 0.3074 0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -1.0098 1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 -1.5479 1.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -1.7671 1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 -1.3273 0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9771 -0.0393 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 0.7991 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8529 2.0628 -0.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 0.3984 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 1.5331 -1.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3247 -0.5077 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 -0.0770 -1.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4324 1.1969 -2.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5296 -0.9444 -1.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5172 -2.2228 -1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6277 -3.0724 -1.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.6586 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -1.7817 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -2.2168 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -3.3692 0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3972 5.6168 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5392 4.3080 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 3.9818 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 5.8767 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 5.4257 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 3.1965 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5158 4.4971 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 4.2929 1.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 3.0421 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 2.8348 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3551 2.2300 2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 1.3483 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 1.2437 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 -2.0167 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8123 -1.9548 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 -2.4893 2.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4481 -4.1122 -0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9565 -4.0279 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2404 -4.0937 2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9112 -1.8900 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -3.0497 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 -0.9937 -0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 0.1570 -2.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 -1.4413 2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 -2.7827 1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 2.5619 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 1.7101 -2.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4307 -0.6168 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6608 -3.6730 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3859 -3.6657 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 10 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 17 8 1 0 0 0 0 25 19 1 0 0 0 0 36 29 1 0 0 0 0 37 23 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 50 1 6 0 0 0 8 51 1 6 0 0 0 10 52 1 1 0 0 0 11 53 1 6 0 0 0 12 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 57 1 0 0 0 0 15 58 1 6 0 0 0 16 59 1 0 0 0 0 17 60 1 6 0 0 0 18 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 26 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 M END > NP0013751 > NP-MRD > [H]OC1=C([H])C(O[H])=C2C(=O)C3=C(O[H])C(=C(O[H])C([H])=C3C(=O)C2=C1[H])[C@@]([H])(O[C@]1([H])O[C@@]([H])([C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C26H30O12/c1-2-3-4-5-16(37-26-24(36)23(35)25(38-26)15(31)9-27)19-14(30)8-12-18(22(19)34)21(33)17-11(20(12)32)6-10(28)7-13(17)29/h6-8,15-16,23-31,34-36H,2-5,9H2,1H3/t15-,16+,23-,24-,25+,26-/m1/s1 > UDEJSRNTKLJXPT-HQUGCNLOSA-N > C26H30O12 > 534.514 > 534.173726406 > 12 > 68 > 54.05810369269237 > 0 > 8 > 0 > 0 > 2-[(1S)-1-{[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}hexyl]-1,3,6,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione > 1.28 > 2.739062789666667 > -2.44 > 1 > 4 > -1 > 7.4579318856185335 > 6.7726956256356505 > -2.9745069773523056 > 214.43999999999997 > 131.04959999999997 > 9 > 0 > 1.96e+00 g/l > 2-[(1S)-1-{[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}hexyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione > 0 > NP0013751 > Quinofuracin A $$$$