Mrv0541 05061308312D 63 72 0 0 0 0 999 V2000 4.8989 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 3.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1226 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -3.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0043 3.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5920 -1.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4531 4.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 -2.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7038 1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 3.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 -3.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5633 -2.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 -0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 3.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8495 -1.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 2.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9253 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9541 -2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 4.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4900 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1196 -3.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3978 -1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0845 5.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2507 -1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9282 1.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -3.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 2.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 -0.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 -2.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2968 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 1.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 -1.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1101 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -2.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0341 3.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1748 -2.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -1.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6235 2.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7598 -2.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 5.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2935 -0.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6922 -4.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 -1.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9403 5.9024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 -2.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7841 0.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 -4.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8857 2.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -0.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8096 3.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9805 -2.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9047 -0.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 -2.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 15 1 1 0 0 0 0 15 7 2 0 0 0 0 16 2 1 0 0 0 0 16 8 2 0 0 0 0 17 3 1 0 0 0 0 17 9 2 0 0 0 0 18 10 2 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 4 1 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 13 2 0 0 0 0 23 19 1 0 0 0 0 24 7 1 0 0 0 0 24 20 2 0 0 0 0 25 8 1 0 0 0 0 25 21 2 0 0 0 0 26 9 1 0 0 0 0 26 22 2 0 0 0 0 27 10 1 0 0 0 0 28 14 2 0 0 0 0 29 12 1 0 0 0 0 30 11 2 0 0 0 0 31 14 1 0 0 0 0 32 13 1 0 0 0 0 33 27 2 0 0 0 0 33 30 1 0 0 0 0 34 28 1 0 0 0 0 35 31 2 0 0 0 0 36 32 2 0 0 0 0 37 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 38 36 1 0 0 0 0 39 34 2 0 0 0 0 39 35 1 0 0 0 0 40 37 1 0 0 0 0 41 15 1 0 0 0 0 41 29 1 0 0 0 0 42 16 1 0 0 0 0 42 40 1 0 0 0 0 43 19 2 0 0 0 0 43 36 1 0 0 0 0 44 38 1 0 0 0 0 45 17 1 0 0 0 0 45 44 1 0 0 0 0 46 18 1 0 0 0 0 47 20 1 0 0 0 0 48 21 1 0 0 0 0 49 22 1 0 0 0 0 50 23 1 0 0 0 0 51 24 1 0 0 0 0 52 25 1 0 0 0 0 53 26 1 0 0 0 0 54 27 1 0 0 0 0 55 28 1 0 0 0 0 56 29 1 0 0 0 0 57 39 1 0 0 0 0 58 40 1 0 0 0 0 59 44 1 0 0 0 0 60 30 1 0 0 0 0 60 42 1 0 0 0 0 61 41 1 0 0 0 0 61 43 1 0 0 0 0 62 31 1 0 0 0 0 62 45 1 0 0 0 0 63 32 1 0 0 0 0 63 45 1 0 0 0 0 M END > CHEM029405 > chemdb > OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C1=C(OC3(OC4=C(C1C3O)C(O)=C(C1C(O)C(OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)C(O)=C4)C1=CC(O)=C(O)C=C1)C=C2O > InChI=1S/C45H36O18/c46-18-10-27(54)33-30(11-18)60-42(16-2-5-21(48)25(52)8-16)40(58)37(33)34-28(55)14-31-35(39(34)57)38-36-32(63-45(62-31,44(38)59)17-3-6-22(49)26(53)9-17)13-23(50)19-12-29(56)41(61-43(19)36)15-1-4-20(47)24(51)7-15/h1-11,13-14,29,37-38,40-42,44,46-59H,12H2 > SSOWHRNCDFFKAK-UHFFFAOYSA-N > C45H36O18 > 864.7565 > 864.190164348 > 18 > 83.45638896202661 > 0 > 14 > 0 > 0 > 5,13-bis(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol > 3.55 > 4.911170094999999 > -3.74 > 0 > 10 > 0 > 9.03769673085981 > 8.623225786017494 > -5.009563098221279 > 320.14000000000004 > 216.70460000000014 > 4 > 0 > 1.57e-01 g/l > 5,13-bis(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol > 0 > Epicatechin-(4beta->6)-epicatechin-(2beta->7,4beta->8)-epicatechin $$$$