Mrv0541 02241223392D 134147 0 0 0 0 999 V2000 -6.1898 -3.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1898 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4825 -2.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6335 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2091 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 -0.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6335 -0.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4825 -3.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6335 -3.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2091 -3.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -3.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9357 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 -2.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -3.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 -3.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -5.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -4.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8973 -4.2091 0.0000 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5916 2.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 0.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 1.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 1.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 2.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 2.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 2.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2379 -0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 0.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1478 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 4.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 3.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 3.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 4.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 4.3505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 5.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 5.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5209 5.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 5.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 4.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 3.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 2.8650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 2.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6946 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 -0.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 4.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1995 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 3.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 4.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3924 3.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3924 5.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 4.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 5.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 6.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8169 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 -0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 0.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8169 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 2.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 51 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 62 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 35 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 47 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 40 44 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 50 51 2 0 0 0 0 50 56 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 53 57 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 75 2 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 76 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 79 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 67 95 1 0 0 0 0 68 69 1 0 0 0 0 68 80 1 0 0 0 0 69 70 2 0 0 0 0 69 83 1 0 0 0 0 70 71 1 0 0 0 0 70 87 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 72 84 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 84 85 1 0 0 0 0 86 87 2 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 98 1 0 0 0 0 90 91 1 0 0 0 0 90112 1 0 0 0 0 91 92 1 0 0 0 0 92 93 2 0 0 0 0 92101 1 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99113 1 0 0 0 0 100101 1 0 0 0 0 100107 2 0 0 0 0 101102 2 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103106 2 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 109110 2 0 0 0 0 110111 1 0 0 0 0 110118 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 2 0 0 0 0 115127 1 0 0 0 0 117118 1 0 0 0 0 117124 2 0 0 0 0 118119 2 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 120123 2 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 126127 1 0 0 0 0 126133 2 0 0 0 0 127128 2 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129132 2 0 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 M END > FDB007229 > foodb > OC1=CC(=CC(O)=C1O)C(=O)OC1OC2COC(=O)C3=C(C(O)=C(O)C(OC4=C(O)C(O)=C(O)C=C4C(=O)OC4OC5COC(=O)C6=C(C(O)=C(O)C(O)=C6)C6=C(C=C(O)C(O)=C6O)C(=O)OC5C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C4OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C82H58O52/c83-28-1-18(2-29(84)49(28)97)71(112)129-67-65-43(125-81(133-75(116)22-9-36(91)53(101)37(92)10-22)69(67)131-73(114)20-5-32(87)51(99)33(88)6-20)17-123-77(118)26-15-42(58(106)62(110)48(26)47-25(79(120)127-65)13-40(95)56(104)61(47)109)124-64-27(14-41(96)57(105)63(64)111)80(121)134-82-70(132-74(115)21-7-34(89)52(100)35(90)8-21)68(130-72(113)19-3-30(85)50(98)31(86)4-19)66-44(126-82)16-122-76(117)23-11-38(93)54(102)59(107)45(23)46-24(78(119)128-66)12-39(94)55(103)60(46)108/h1-15,43-44,65-70,81-111H,16-17H2 > LELFYNPFJFAEND-UHFFFAOYSA-N > C82H58O52 > 1875.3067 > 1874.1894122 > 41 > 163.60168769383637 > 0 > 29 > 0 > 0 > 3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-13-yl 3,4,5-trihydroxy-2-{[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-21-yl]oxy}benzoate > 4.26 > 8.359526181333333 > -3.07 > 1 > 14 > -1 > 7.389179548338955 > 6.556931781718275 > -5.911117228799115 > 877.3600000000007 > 425.8520999999998 > 20 > 0 > 1.59e+00 g/l > 3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-13-yl 3,4,5-trihydroxy-2-{[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(19),2(7),3,5,20,22-hexaen-21-yl]oxy}benzoate > 0 > FDB007229 > Rugosin D $$$$