Mrv0541 02241216432D 156175 0 0 0 0 999 V2000 -7.0908 3.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0908 2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8918 2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8918 3.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6131 3.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6131 4.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2094 2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2094 0.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7254 3.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6453 4.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 4.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6131 -1.3217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6131 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8918 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8918 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0908 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0908 -0.1199 0.0000 O 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 4.4466 1.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 1.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -1.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9658 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -0.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 -1.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 -2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 2.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 1.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 2.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 3.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 4.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 1.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 -0.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 -0.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0813 -1.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 0.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 -0.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 -0.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 1.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 2.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4466 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 4.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 5.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 5.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 2.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 1.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 4.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 5.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 5.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 8.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 7.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 8.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 7.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 5.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 5.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 6.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 5.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 5.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 6.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7286 7.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5299 7.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 8.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 8.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -3.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9753 1.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 3.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6931 2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4112 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6931 1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 0.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -3.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -4.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -5.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -6.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -7.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -8.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7254 -6.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -6.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -5.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7671 -4.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 -3.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6068 -2.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -7.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8918 -6.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -5.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8918 -4.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4527 -3.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8918 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 -1.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3341 -3.0044 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 7 1 0 0 0 0 3 4 1 0 0 0 0 3 25 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 39 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 36 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 52 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 79 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 47 2 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 53 1 0 0 0 0 46 47 1 0 0 0 0 46 56 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 57 2 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 54 57 1 0 0 0 0 57 58 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 60 85 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 96 1 0 0 0 0 63 64 1 0 0 0 0 63 93 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 71 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 69124 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 72 86 1 0 0 0 0 73 74 1 0 0 0 0 73124 2 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 76 81 2 0 0 0 0 77 78 2 0 0 0 0 77 83 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 81 82 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 90 2 0 0 0 0 85 86 2 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 91 2 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94100 1 0 0 0 0 95 96 1 0 0 0 0 95103 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 2 0 0 0 0 98113 1 0 0 0 0 100101 1 0 0 0 0 101102 2 0 0 0 0 101131 1 0 0 0 0 103104 1 0 0 0 0 104105 2 0 0 0 0 104118 1 0 0 0 0 106107 1 0 0 0 0 107108 2 0 0 0 0 107111 1 0 0 0 0 108109 1 0 0 0 0 108114 1 0 0 0 0 110111 1 0 0 0 0 111112 2 0 0 0 0 112113 1 0 0 0 0 112119 1 0 0 0 0 113114 2 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 2 0 0 0 0 117118 2 0 0 0 0 118119 1 0 0 0 0 119120 2 0 0 0 0 120121 1 0 0 0 0 120123 1 0 0 0 0 121122 1 0 0 0 0 124125 1 0 0 0 0 126127 1 0 0 0 0 126129 2 0 0 0 0 126133 1 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 130131 2 0 0 0 0 131132 1 0 0 0 0 132133 2 0 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135154 2 0 0 0 0 136137 2 0 0 0 0 136147 1 0 0 0 0 137138 1 0 0 0 0 137152 1 0 0 0 0 138139 1 0 0 0 0 138145 2 0 0 0 0 139140 2 0 0 0 0 139150 1 0 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141144 2 0 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 147148 2 0 0 0 0 149150 2 0 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 152153 2 0 0 0 0 153154 1 0 0 0 0 153156 1 0 0 0 0 154155 1 0 0 0 0 M END > FDB020492 > foodb > OC1=CC2=C(C(O)=C1O)C1=C(C=C(O)C(O)=C1O)C(=O)OC1C(COC2=O)OC(OC(=O)C2=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C4=C3C(=O)OC3C(COC(=O)C5=C4C(O)=C(O)C(O)=C5)OC(OC(=O)C4=CC(O)=C(O)C(OC5=C(O)C(O)=C6OC(=O)C7=CC(O)=C(O)C8=C7C6=C5C(=O)O8)=C4)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(O)C(O)=C(O)C=C5C(=O)OC34)=C2)C2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC12 > InChI=1S/C96H58O60/c97-25-1-15(83(129)155-95-81-79(151-88(134)20-8-30(102)55(111)63(119)41(20)43-22(90(136)153-81)10-32(104)57(113)65(43)121)73-37(145-95)13-141-85(131)17-5-27(99)53(109)61(117)39(17)40-19(87(133)147-73)7-29(101)54(110)62(40)118)3-35(51(25)107)143-77-49-47(68(124)69(125)70(77)126)45-18(6-28(100)59(115)67(45)123)86(132)142-14-38-74(148-93(49)139)80-82(154-91(137)23-11-33(105)58(114)66(122)44(23)42-21(89(135)152-80)9-31(103)56(112)64(42)120)96(146-38)156-84(130)16-2-26(98)52(108)36(4-16)144-78-50-48-46-24(92(138)149-76(48)71(127)72(78)128)12-34(106)60(116)75(46)150-94(50)140/h1-12,37-38,73-74,79-82,95-128H,13-14H2 > KQHYALTVYSPZPQ-UHFFFAOYSA-N > C96H58O60 > 2171.4517 > 2170.148729176 > 46 > 188.17760498202225 > 0 > 32 > 0 > 0 > 7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl 3-({20-[3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl}oxy)benzoyloxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-36-yl}oxy)-4,5-dihydroxybenzoate > 4.27 > 9.054014379999998 > -2.93 > 1 > 20 > -3 > 6.141067729110028 > 3.2448383776681875 > -4.796194367160372 > 999.8800000000008 > 492.81799999999936 > 10 > 0 > 2.54e+00 g/l > 7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-20-yl 3-({20-[3,4-dihydroxy-5-({6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl}oxy)benzoyloxy]-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26(31),27,29,32(37),33,35-dodecaen-36-yl}oxy)-4,5-dihydroxybenzoate > 0 > FDB020492 > Lambertianin B $$$$