3086518 CDK 1202211636 65 72 0 0 0 0 0 0 0 0999 V2000 7.8526 -2.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 -1.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8659 2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6647 2.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3257 0.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2815 -0.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8776 -0.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9403 -2.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5263 -2.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -5.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6957 -5.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 4.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 1.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1377 5.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8539 -1.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4249 0.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8539 -0.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 2.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 4.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0876 3.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8526 -1.2967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5670 -1.7092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5670 -2.5342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8526 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 2.0433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1381 -2.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1249 2.4729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8526 1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8492 -3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4006 -1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4006 -2.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1282 3.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -2.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9960 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4153 3.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8442 3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9439 -4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 -4.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9518 2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7105 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4184 4.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8474 4.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1345 4.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 2.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7105 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4249 -1.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1394 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4249 -0.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 3.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1394 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8068 2.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 3.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 3.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4599 -0.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 30 1 0 0 0 0 22 2 1 1 0 0 0 2 43 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 29 4 1 1 0 0 0 4 49 1 0 0 0 0 5 28 1 0 0 0 0 6 33 1 0 0 0 0 7 35 1 0 0 0 0 8 42 1 0 0 0 0 9 43 2 0 0 0 0 10 46 1 0 0 0 0 11 48 1 0 0 0 0 12 51 1 0 0 0 0 13 49 2 0 0 0 0 14 53 1 0 0 0 0 15 57 1 0 0 0 0 16 58 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 65 1 1 0 0 0 22 23 1 0 0 0 0 23 34 1 1 0 0 0 24 28 2 0 0 0 0 24 33 1 0 0 0 0 25 30 1 0 0 0 0 25 35 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 2 0 0 0 0 27 29 1 0 0 0 0 29 31 1 0 0 0 0 30 37 2 0 0 0 0 31 38 1 1 0 0 0 32 36 1 0 0 0 0 33 36 2 0 0 0 0 34 40 2 0 0 0 0 34 41 1 0 0 0 0 35 39 1 0 0 0 0 37 42 1 0 0 0 0 38 44 2 0 0 0 0 38 45 1 0 0 0 0 39 42 2 0 0 0 0 40 46 1 0 0 0 0 41 47 2 0 0 0 0 43 50 1 0 0 0 0 44 51 1 0 0 0 0 45 52 2 0 0 0 0 46 48 2 0 0 0 0 47 48 1 0 0 0 0 49 54 1 0 0 0 0 50 55 2 0 0 0 0 50 56 1 0 0 0 0 51 53 2 0 0 0 0 52 53 1 0 0 0 0 54 59 2 0 0 0 0 54 60 1 0 0 0 0 55 58 1 0 0 0 0 56 57 2 0 0 0 0 57 61 1 0 0 0 0 58 61 2 0 0 0 0 59 63 1 0 0 0 0 60 62 2 0 0 0 0 62 64 1 0 0 0 0 63 64 2 0 0 0 0 M END > CHEBI:185582 > (2R,3R)-2-(3,4-Dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate > 2 > [(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate > C44H34O20 > 882.736 > 882.16434 > 0 > O1[C@@H]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@](C3=C(O)C=4C[C@@H](OC(=O)C5=CC(O)=C(O)C(O)=C5)[C@H](OC4C=C3O)C6=CC(O)=C(O)C=C6)(C=7C1=CC(O)=CC7O)[H])C8=CC(O)=C(O)C=C8 > InChI=1S/C44H34O20/c45-19-11-25(50)34-32(12-19)62-41(16-2-4-22(47)24(49)6-16)42(64-44(60)18-9-29(54)39(58)30(55)10-18)36(34)35-26(51)14-31-20(37(35)56)13-33(40(61-31)15-1-3-21(46)23(48)5-15)63-43(59)17-7-27(52)38(57)28(53)8-17/h1-12,14,33,36,40-42,45-58H,13H2/t33-,36-,40-,41-,42-/m1/s1 > LFBGVECYPPCVDS-QNPRKUGLSA-N > 106533-60-2 > 106533-60-2 $$$$