Mrv1572004251604242D 128131 0 0 0 0 999 V2000 -2.0743 4.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 -2.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 -2.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -3.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 1.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 -1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 -3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 2.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 -2.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -0.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 2.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -2.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 3.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2126 -3.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 11.5819 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0108 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0108 4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0108 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0108 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2964 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7253 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7253 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3126 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -7.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -7.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -11.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -9.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -9.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 -9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4735 -9.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -7.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -8.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -10.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -8.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -9.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 -9.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -7.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -10.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -8.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 -7.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 1.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -2.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 1.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -1.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 -2.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9817 2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 -3.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8383 3.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7253 2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 -2.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5819 3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0108 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 14 3 1 0 0 0 0 14 5 1 0 0 0 0 14 11 2 0 0 0 0 15 4 1 0 0 0 0 15 6 1 0 0 0 0 15 12 2 0 0 0 0 16 7 1 0 0 0 0 16 13 1 0 0 0 0 17 8 1 0 0 0 0 17 13 1 0 0 0 0 18 9 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 20 18 2 0 0 0 0 21 12 1 0 0 0 0 21 19 2 0 0 0 0 22 16 2 0 0 0 0 23 17 2 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 1 1 0 0 0 0 26 20 1 0 0 0 0 27 2 1 0 0 0 0 27 21 1 0 0 0 0 32 30 2 0 0 0 0 33 31 2 0 0 0 0 35 34 2 0 0 0 0 39 28 1 0 0 0 0 39 30 1 0 0 0 0 40 29 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 41 34 1 0 0 0 0 42 33 1 0 0 0 0 42 36 2 0 0 0 0 43 35 1 0 0 0 0 44 37 1 0 0 0 0 44 43 1 0 0 0 0 45 38 1 0 0 0 0 45 41 2 0 0 0 0 46 37 2 0 0 0 0 46 42 1 0 0 0 0 47 36 1 0 0 0 0 47 44 2 0 0 0 0 48 43 2 0 0 0 0 48 45 1 0 0 0 0 49 38 2 0 0 0 0 50 39 2 0 0 0 0 51 40 2 0 0 0 0 52 46 1 0 0 0 0 53 47 1 0 0 0 0 54 48 1 0 0 0 0 59 57 2 0 0 0 0 60 58 2 0 0 0 0 65 55 1 0 0 0 0 65 57 1 0 0 0 0 66 56 1 0 0 0 0 66 58 1 0 0 0 0 67 59 1 0 0 0 0 67 61 2 0 0 0 0 68 60 1 0 0 0 0 68 62 2 0 0 0 0 69 63 1 0 0 0 0 70 64 1 0 0 0 0 70 69 1 0 0 0 0 71 63 2 0 0 0 0 71 67 1 0 0 0 0 72 64 2 0 0 0 0 72 68 1 0 0 0 0 73 61 1 0 0 0 0 73 69 2 0 0 0 0 74 62 1 0 0 0 0 74 70 2 0 0 0 0 75 65 2 0 0 0 0 76 66 2 0 0 0 0 77 71 1 0 0 0 0 78 72 1 0 0 0 0 79 73 1 0 0 0 0 80 74 1 0 0 0 0 87 85 1 0 0 0 0 88 86 2 0 0 0 0 91 81 1 0 0 0 0 91 82 1 0 0 0 0 91 89 2 0 0 0 0 92 83 1 0 0 0 0 92 85 2 0 0 0 0 92 86 1 0 0 0 0 93 84 1 0 0 0 0 93 90 1 0 0 0 0 94 87 2 0 0 0 0 94 88 1 0 0 0 0 94 93 1 0 0 0 0 95 89 1 0 0 0 0 95 90 1 0 0 0 0 96 95 2 0 0 0 0 102100 2 0 0 0 0 103101 1 0 0 0 0 104 97 1 0 0 0 0 104 98 1 0 0 0 0 105 99 1 0 0 0 0 105100 1 0 0 0 0 105101 2 0 0 0 0 106102 1 0 0 0 0 106103 1 0 0 0 0 106104 1 0 0 0 0 110109 2 0 0 0 0 113107 1 0 0 0 0 113109 1 0 0 0 0 113111 2 0 0 0 0 114108 1 0 0 0 0 114111 1 0 0 0 0 115110 1 0 0 0 0 115112 1 0 0 0 0 115114 2 0 0 0 0 116112 1 0 0 0 0 117 3 1 0 0 0 0 118 4 1 0 0 0 0 119 7 1 0 0 0 0 120 8 1 0 0 0 0 121 30 1 0 0 0 0 122 31 1 0 0 0 0 123 32 1 0 0 0 0 124 33 1 0 0 0 0 125 57 1 0 0 0 0 126 58 1 0 0 0 0 127 59 1 0 0 0 0 128 60 1 0 0 0 0 M END > CHEM007772 > chemdb > CC(C)C1CC=C(C)C=C1.CC1=CC(C)=C(CO)C=C1.CC(CC(=O)C=C(C)C)C1=CC=C(C)C=C1.[H]\C(=C(\[H])C1=CC(O)=C(C=C1O)C1=C(O)C=C(\C([H])=C(/[H])C(C)=O)C(O)=C1)C(C)=O.[H]\C(=C(\[H])C1=CC(O)=C(C=C1O)C1=C(O)C(C=O)=C(C=C1)C(\[H])=C(/[H])C(C)=O)C(C)=O.[H]\C(=C(\[H])C1=CC(OC)=C(O)C=C1)C(=O)CC(=O)C(\[H])=C(/[H])C1=CC(OC)=C(O)C=C1 > InChI=1S/C21H20O6.C21H18O6.C20H18O6.C15H20O.C10H16.C9H12O/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2;1-12(23)3-5-14-7-8-16(21(27)18(14)11-22)17-10-19(25)15(9-20(17)26)6-4-13(2)24;1-11(21)3-5-13-7-19(25)15(9-17(13)23)16-10-18(24)14(8-20(16)26)6-4-12(2)22;1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14;1-8(2)10-6-4-9(3)5-7-10;1-7-3-4-9(6-10)8(2)5-7/h3-12,24-25H,13H2,1-2H3;3-11,25-27H,1-2H3;3-10,23-26H,1-2H3;5-9,13H,10H2,1-4H3;4-6,8,10H,7H2,1-3H3;3-5,10H,6H2,1-2H3/b7-3+,8-4+;2*5-3+,6-4+;;; > YXJQAJYHOZIUDX-IZMASWOCSA-N > C96H104O20 > 1577.868 > 1576.712095749 > 6 > 220 > 38.453597336534735 > 0 > 2 > 0 > 0 > (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione; (2,4-dimethylphenyl)methanol; (3E)-4-{2,2',5,5'-tetrahydroxy-4'-[(1E)-3-oxobut-1-en-1-yl]-[1,1'-biphenyl]-4-yl}but-3-en-2-one; 2,2',5'-trihydroxy-4,4'-bis[(1E)-3-oxobut-1-en-1-yl]-[1,1'-biphenyl]-3-carbaldehyde; 2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene; 2-methyl-6-(4-methylphenyl)hept-2-en-4-one > 3.60 > 4.1245245509999995 > -4.74 > 1 > 9 > 0 > 9.583124219322876 > 9.061334054864934 > -4.355207917811037 > 93.06000000000002 > 103.81059999999997 > 25 > 0 > 6.66e-03 g/l > (+-)-α phellandrene; (3E)-4-{2,2',5,5'-tetrahydroxy-4'-[(1E)-3-oxobut-1-en-1-yl]-[1,1'-biphenyl]-4-yl}but-3-en-2-one; 2,2',5'-trihydroxy-4,4'-bis[(1E)-3-oxobut-1-en-1-yl]-[1,1'-biphenyl]-3-carbaldehyde; 2,4-dimethylbenzyl alcohol; 2-methyl-6-(4-methylphenyl)hept-2-en-4-one; curcumin > 0 > TURMERIC (CURCUMA LONGA L.) > 977052-44-0 $$$$