Mrv0541 02241223372D 123135 0 0 0 0 999 V2000 -5.2999 -3.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2999 -2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 -1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 -0.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -3.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -3.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -3.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 -3.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -2.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 -3.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -3.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 -5.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2364 -4.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9979 -4.1572 0.0000 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0 0 0 0 0 0 0 0 0 0 0 -0.0953 1.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 2.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 2.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 0.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 1.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 2.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 2.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 2.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 0.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 0.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 4.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 3.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 3.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 4.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 4.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0471 5.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 4.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 4.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 5.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4745 4.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 3.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 2.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0614 1.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9345 4.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9345 4.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 3.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3944 4.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0924 3.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0924 5.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3944 4.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 5.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 6.1884 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 110116 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 115116 1 0 0 0 0 115122 2 0 0 0 0 116117 2 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 118121 2 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 M END > FDB007230 > foodb > 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/C75H54O48/c76-25-1-16(2-26(77)44(25)88)65(102)119-61-59-38(115-74(111)63(61)121-67(104)18-5-29(80)46(90)30(81)6-18)14-112-70(107)23-13-37(52(96)56(100)43(23)42-22(71(108)117-59)11-35(86)50(94)55(42)99)114-58-24(12-36(87)51(95)57(58)101)73(110)123-75-64(122-68(105)19-7-31(82)47(91)32(83)8-19)62(120-66(103)17-3-27(78)45(89)28(79)4-17)60-39(116-75)15-113-69(106)20-9-33(84)48(92)53(97)40(20)41-21(72(109)118-60)10-34(85)49(93)54(41)98/h1-13,38-39,59-64,74-101,111H,14-15H2 > PNNKYDFJHCUHIQ-UHFFFAOYSA-N > C75H54O48 > 1723.2025 > 1722.178453584 > 38 > 150.51285770134908 > 0 > 27 > 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 2-{[3,4,5,13,22,23-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-21-yl]oxy}-3,4,5-trihydroxybenzoate > 4.08 > 6.7749222976666665 > -3.00 > 1 > 13 > -1 > 7.3891795493503345 > 5.7794239587829 > -5.911117228799115 > 810.6000000000006 > 390.08739999999983 > 17 > 0 > 1.72e+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 2-{[3,4,5,13,22,23-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-21-yl]oxy}-3,4,5-trihydroxybenzoate > 0 > FDB007230 > Rugosin E $$$$