457885 -OEChem-05042402282D 62 65 0 1 0 0 0 0 0999 V2000 6.0682 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 -0.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -3.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0682 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6663 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -3.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1294 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8784 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2769 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -3.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7444 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1429 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -1.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3203 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9218 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6674 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9353 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7275 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5334 4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 11 2 1 6 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 53 1 0 0 0 0 18 4 1 1 0 0 0 4 54 1 0 0 0 0 5 20 2 0 0 0 0 6 26 1 0 0 0 0 6 57 1 0 0 0 0 7 28 1 0 0 0 0 7 58 1 0 0 0 0 8 31 1 0 0 0 0 8 60 1 0 0 0 0 9 34 1 0 0 0 0 9 61 1 0 0 0 0 10 36 1 0 0 0 0 10 62 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 1 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 21 2 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 26 1 0 0 0 0 21 44 1 0 0 0 0 22 27 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 24 29 2 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 27 30 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 31 2 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 32 34 1 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 M END > 457885 > 1 > 721 > 10 > 7 > 8 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMEAAAAAAACRUAAAGgAACAAADBSgmAIwDoAABgCIAiDSCAACCAAgIAAIiAEGiIgNNzaGMRqCeCGl4BULuAfI6PyOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxy-pentanoate > (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoic acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester > [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate > [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate > [(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] (3S)-5-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-pentanoate > (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxy-valeric acid [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester > InChI=1S/C26H26O10/c27-15(4-1-13-2-5-18(29)21(32)7-13)11-25(34)35-24-12-17-20(31)9-16(28)10-23(17)36-26(24)14-3-6-19(30)22(33)8-14/h2-3,5-10,15,24,26-33H,1,4,11-12H2/t15-,24-,26+/m0/s1 > FKDRTLFRRHQTGU-TYFWRAIDSA-N > 1.9 > 498.15259702 > C26H26O10 > 498.5 > C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)CC(CCC4=CC(=C(C=C4)O)O)O > C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C[C@H](CCC4=CC(=C(C=C4)O)O)O > 177 > 498.15259702 > 0 > 36 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 5 14 15 8 14 17 8 15 21 8 16 23 8 16 24 8 17 25 8 11 2 6 21 26 8 23 28 8 24 29 8 25 26 8 28 31 8 29 31 8 30 32 8 30 33 8 32 34 8 33 35 8 34 36 8 35 36 8 18 4 5 $$$$