44243471 -OEChem-04232421412D 69 70 0 1 0 0 0 0 0999 V2000 3.9713 2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8872 3.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 5.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 7.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 11.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 12.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3134 12.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 13.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 11.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 6.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 5.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4710 5.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0945 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7416 3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 5.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 2.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 7.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 4.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3994 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5925 2.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 12.3973 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0455 12.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7775 12.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 12.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 6.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 6.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6531 4.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 5.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2970 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 6.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2021 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 8.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 9.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 8.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1275 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9897 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 2.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 2.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3746 12.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 13.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 13.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3746 11.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 12.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 12.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 31 1 0 0 0 0 2 24 1 0 0 0 0 2 32 1 0 0 0 0 3 25 1 0 0 0 0 3 33 1 0 0 0 0 4 29 1 0 0 0 0 4 34 1 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 35 1 0 0 0 0 7 67 1 0 0 0 0 8 37 1 0 0 0 0 8 68 1 0 0 0 0 9 38 1 0 0 0 0 9 69 1 0 0 0 0 10 37 2 0 0 0 0 11 38 2 0 0 0 0 13 12 1 1 0 0 0 12 27 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 22 26 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 25 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 36 38 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 M END > 44243471 > 1 > 869 > 11 > 4 > 8 > AAADceB6PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAABggAAAABAAAAHgAQCAAADDzhmAYyDoLABgCIAqHSGAKCCAAgIAAAiIFOiMgNNzaEsR6EcCIl9hWLqYfT8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA== > 2-hydroxybutanedioic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-hydroxybutanedioic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-hydroxybutanedioic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-hydroxybutanedioic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide > 2-oxidanylbutanedioic acid;N-[(7S)-1,2,3,10-tetramethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide > N-[(7S)-9-keto-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide;malic acid > InChI=1S/C22H25NO6.C4H6O5/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16;5-2(4(8)9)1-3(6)7/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);2,5H,1H2,(H,6,7)(H,8,9)/t16-;/m0./s1 > QJTVTEKHKOKCMO-NTISSMGPSA-N > 533.18971080 > C26H31NO11 > 533.5 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C(C(C(=O)O)O)C(=O)O > CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C(C(C(=O)O)O)C(=O)O > 178 > 533.18971080 > 0 > 38 > 1 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 13 12 5 16 19 8 16 22 8 17 18 8 17 21 8 18 20 8 19 23 8 20 24 8 21 25 8 22 26 8 23 28 8 24 25 8 26 29 8 28 29 8 35 7 3 $$$$