Mrv1652305221920422D 95105 0 0 1 0 999 V2000 -0.0954 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3891 -2.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1242 -2.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7963 0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 -4.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 -2.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9021 -3.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 -1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 0.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 1.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0132 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 -0.9514 -2.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 1.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 2.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5809 2.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 2.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 -0.4881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3799 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -1.1300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1456 0.2044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6490 -0.4492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3709 -1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4595 -3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 -2.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2177 -0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 2.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 3.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 -3.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1413 -3.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 -2.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -4.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 -6.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 -1.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9679 0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -0.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -3.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7161 -4.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -6.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5629 -2.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8796 1.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 -5.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -3.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 2.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 3.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3815 3.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 3.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1432 -0.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2339 -2.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2803 -3.4048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 -1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2472 0.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -3.0872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -1.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -1.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 -0.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9012 -0.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -1.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 0.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -0.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -1.1843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6446 -0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8244 -0.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 2 0 0 0 0 11 2 1 0 0 0 0 12 3 2 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 6 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 9 2 0 0 0 0 17 13 1 0 0 0 0 18 9 1 0 0 0 0 19 1 1 0 0 0 0 20 2 2 0 0 0 0 21 3 1 0 0 0 0 22 4 2 0 0 0 0 23 6 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 5 1 0 0 0 0 27 10 1 0 0 0 0 28 14 1 0 0 0 0 29 15 1 0 0 0 0 29 28 1 0 0 0 0 30 16 1 0 0 0 0 31 18 2 0 0 0 0 32 30 1 0 0 0 0 34 31 1 0 0 0 0 34 33 1 0 0 0 0 35 32 2 0 0 0 0 35 33 1 0 0 0 0 36 19 2 0 0 0 0 36 20 1 0 0 0 0 37 21 2 0 0 0 0 37 22 1 0 0 0 0 38 23 2 0 0 0 0 39 24 2 0 0 0 0 40 25 2 0 0 0 0 41 28 2 0 0 0 0 41 38 1 0 0 0 0 42 29 2 0 0 0 0 42 39 1 0 0 0 0 43 30 2 0 0 0 0 43 40 1 0 0 0 0 44 32 1 0 0 0 0 45 33 2 0 0 0 0 46 44 2 0 0 0 0 46 45 1 0 0 0 0 47 11 1 6 0 0 0 47 26 1 0 0 0 0 48 13 2 0 0 0 0 48 31 1 0 0 0 0 49 27 1 0 0 0 0 50 34 1 0 0 0 0 49 51 1 1 0 0 0 51 50 1 0 0 0 0 52 12 1 0 0 0 0 53 14 1 0 0 0 0 54 15 1 0 0 0 0 55 16 1 0 0 0 0 56 35 1 0 0 0 0 57 17 1 0 0 0 0 58 18 1 0 0 0 0 59 19 1 0 0 0 0 60 20 1 0 0 0 0 61 21 1 0 0 0 0 62 22 1 0 0 0 0 63 23 1 0 0 0 0 64 24 1 0 0 0 0 65 25 1 0 0 0 0 26 66 1 1 0 0 0 67 36 1 0 0 0 0 68 37 1 0 0 0 0 69 38 1 0 0 0 0 70 39 1 0 0 0 0 71 40 1 0 0 0 0 72 41 1 0 0 0 0 73 42 1 0 0 0 0 74 43 1 0 0 0 0 75 44 1 0 0 0 0 76 45 1 0 0 0 0 77 46 1 0 0 0 0 78 52 2 0 0 0 0 79 53 2 0 0 0 0 80 54 2 0 0 0 0 81 55 2 0 0 0 0 82 56 2 0 0 0 0 83 10 1 0 0 0 0 83 53 1 0 0 0 0 27 84 1 1 0 0 0 84 52 1 0 0 0 0 85 47 1 0 0 0 0 85 48 1 0 0 0 0 86 49 1 0 0 0 0 86 54 1 0 0 0 0 87 50 1 0 0 0 0 87 56 1 0 0 0 0 51 88 1 6 0 0 0 88 55 1 0 0 0 0 26 89 1 6 0 0 0 27 90 1 1 0 0 0 34 91 1 6 0 0 0 47 92 1 1 0 0 0 49 93 1 6 0 0 0 50 94 1 1 0 0 0 51 95 1 6 0 0 0 M END > NP0049448 > NP-MRD > [H][C@]1(O)CC2=C(O[C@]1([H])C1=CC(O)=C(O)C(O)=C1)C(=C(O)C=C2O)[C@@]1([H])C2=C(O)C(O)=C(O)C3=C2C(=O)O[C@]1([H])[C@@]([H])(OC(=O)C1=CC(O)=C(O)C(O)=C31)[C@]1([H])OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C56H40O32/c57-17-9-18(58)31(48-13(17)5-26(66)47(85-48)11-1-19(59)36(67)20(60)2-11)34-33-35-32(44(75)46(77)45(33)76)30-16(8-25(65)40(71)43(30)74)55(81)88-51(50(34)87-56(35)82)49-27(84-52(78)12-3-21(61)37(68)22(62)4-12)10-83-53(79)14-6-23(63)38(69)41(72)28(14)29-15(54(80)86-49)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,34,47,49-51,57-77H,5,10H2/t26-,27+,34-,47+,49+,50-,51-/m0/s1 > QJOSZTCZZUNIRY-WLVQCKIMSA-N > C56H40O32 > 1224.8976 > 1224.150269184 > 27 > 128 > 110.82855272990795 > 0 > 21 > 0 > 0 > (10R,11R)-10-[(14R,15S,19R)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate > 3.43 > 4.488022856666666 > -2.78 > 1 > 11 > -1 > 7.671934837664399 > 7.233053558824286 > -6.1733819448804015 > 565.5600000000002 > 286.8899999999998 > 6 > 0 > 2.03e+00 g/l > (10R,11R)-10-[(14R,15S,19R)-2,3,4,7,8,9-hexahydroxy-12,17-dioxo-19-[(2R,3S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-13,16-dioxatetracyclo[13.3.1.0^{5,18}.0^{6,11}]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.0^{2,7}]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl 3,4,5-trihydroxybenzoate > 0 > NP0049448 > Guajavin A $$$$