Mrv0541 02241209122D 67 73 0 0 0 0 999 V2000 4.5618 -1.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0138 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -2.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -2.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 -1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 -1.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5477 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5477 0.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -3.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 -3.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 -4.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 -5.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -2.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -0.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 -0.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8138 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -1.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -2.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 -2.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0358 -5.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -4.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -5.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -5.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -3.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -2.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 -2.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 4.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 3.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 3.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 4.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 4.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 1.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 0.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8957 2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 2.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 3.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 3.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 5.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 5.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 5.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 5.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 3.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 3.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 3.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1767 1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 2.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 34 2 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 2 0 0 0 0 20 21 1 0 0 0 0 20 38 2 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 39 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 41 42 2 0 0 0 0 41 57 1 0 0 0 0 42 43 1 0 0 0 0 42 62 1 0 0 0 0 43 44 2 0 0 0 0 43 53 1 0 0 0 0 44 45 1 0 0 0 0 44 56 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 47 63 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 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 2 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 64 67 1 0 0 0 0 65 66 1 0 0 0 0 M END > CHEM033781 > chemdb > CC(=O)C1=C(O)C=C(O)C(C2OC3COC(=O)C4=C(O)C(O)=C(O)C=C4C4=C(C(O)=C(O)C(O)=C4)C(=O)OC3C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1O > InChI=1S/C42H32O25/c1-10(43)24-15(44)8-16(45)27(32(24)56)36-38(67-40(60)12-4-19(48)29(53)20(49)5-12)37(66-39(59)11-2-17(46)28(52)18(47)3-11)35-23(64-36)9-63-41(61)25-13(6-21(50)30(54)33(25)57)14-7-22(51)31(55)34(58)26(14)42(62)65-35/h2-8,23,35-38,44-58H,9H2,1H3 > MSGAMBMKPONZHA-UHFFFAOYSA-N > C42H32O25 > 936.6885 > 936.123266574 > 21 > 83.1200116111226 > 0 > 15 > 0 > 0 > 13-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5,6,20,21,22-hexahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate > 3.32 > 6.075271545333333 > -2.95 > 1 > 7 > 0 > 7.997646715590619 > 7.563227666261024 > -3.711854462008634 > 434.9500000000001 > 217.65880000000004 > 8 > 0 > 1.06e+00 g/l > 13-(3-acetyl-2,4,6-trihydroxyphenyl)-4,5,6,20,21,22-hexahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2(7),3,5,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate > 0 > 3'-(2'',3''-Digalloyl-4'',6''-hexahydroxydiphenoylglucosyl)-phloroacetophenone > 152041-24-2 $$$$