Mrv0541 02241210572D 72 82 0 0 0 0 999 V2000 -0.4306 -3.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1828 -4.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -3.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -3.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 -2.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -2.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -3.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 -3.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 -3.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 -4.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 -4.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3866 -4.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -2.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 -1.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 -4.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -0.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 -0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3947 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1788 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9766 0.2235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 -0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3797 -0.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6068 -1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 -1.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2326 -1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1939 0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 1.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 -1.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8597 -1.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 3.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 2.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 1.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4141 2.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8859 3.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2957 5.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5241 5.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 4.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 3.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6617 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4732 1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2271 2.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0481 5.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 2.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 -3.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -0.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9918 -0.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3797 0.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5682 2.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 4.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 -2.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3439 -5.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 2.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5049 2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 2.9663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3302 3.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5049 3.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0922 1.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 1.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 2.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 63 1 0 0 0 0 13 14 2 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 56 1 0 0 0 0 16 21 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 62 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 39 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 37 58 1 0 0 0 0 38 39 1 0 0 0 0 38 54 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 49 1 0 0 0 0 41 42 1 0 0 0 0 41 52 1 0 0 0 0 43 44 2 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 46 53 1 0 0 0 0 47 48 2 0 0 0 0 47 61 1 0 0 0 0 49 50 2 0 0 0 0 49 59 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 60 1 0 0 0 0 54 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 65 70 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 68 69 1 0 0 0 0 M END > CHEM033166 > chemdb > OC1COC(OC2C3C4=C(OC2(OC2=C3C3=C(C(C(O)C(O3)C3=CC=C(O)C(O)=C3)C3=C(O)C=C(O)C5=C3OC(C(O)C5)C3=CC=C(O)C(O)=C3)C(O)=C2)C2=CC=C(O)C(O)=C2)C=C(O)C=C4O)C(O)C1O > InChI=1S/C50H44O22/c51-19-10-28(59)35-33(11-19)71-50(18-3-6-23(54)27(58)9-18)48(70-49-43(66)41(64)32(63)15-67-49)40(35)38-34(72-50)14-30(61)37-39(42(65)45(69-47(37)38)17-2-5-22(53)26(57)8-17)36-29(60)13-24(55)20-12-31(62)44(68-46(20)36)16-1-4-21(52)25(56)7-16/h1-11,13-14,31-32,39-45,48-49,51-66H,12,15H2 > QWIMQWJUSBZQGZ-UHFFFAOYSA-N > C50H44O22 > 996.8712 > 996.232423092 > 22 > 96.42547051045769 > 0 > 16 > 0 > 0 > 5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]-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-tetrol > 3.33 > 3.7706693913333336 > -3.28 > 1 > 11 > 0 > 9.014325487969362 > 8.59766652113568 > -5.2177177725416835 > 379.06000000000006 > 243.1554000000001 > 6 > 0 > 5.28e-01 g/l > 5,13-bis(3,4-dihydroxyphenyl)-7-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-21-[(3,4,5-trihydroxyoxan-2-yl)oxy]-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-tetrol > 0 > Cinnamtannin B1 3-arabinoside $$$$