Mrv0541 05061309562D 85 95 0 0 0 0 999 V2000 0.9304 -5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 5.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6022 0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 -5.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 5.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -5.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1734 4.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 4.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0229 2.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4834 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 2.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 3.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9512 -3.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9876 -2.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 -4.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0188 0.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2528 3.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 3.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -2.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -6.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 5.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0971 -6.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5479 5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0293 1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 1.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8312 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 4.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 3.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -2.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -3.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 3.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 2.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 0.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 2.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2116 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 -1.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 4.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 -3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 -4.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 3.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2219 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -0.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 3.8760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -7.3681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4731 6.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 1.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6805 -6.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3212 5.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 2.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 1.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2653 2.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 -0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9308 5.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4637 3.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -2.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -3.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 -4.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 4.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -3.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 1.8335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 -0.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3575 -3.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 4.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 1.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7236 3.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 -0.9106 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 19 1 1 0 0 0 0 19 7 2 0 0 0 0 20 2 1 0 0 0 0 20 8 2 0 0 0 0 21 3 1 0 0 0 0 21 9 2 0 0 0 0 22 10 2 0 0 0 0 22 11 1 0 0 0 0 23 12 2 0 0 0 0 23 13 1 0 0 0 0 24 14 2 0 0 0 0 24 15 1 0 0 0 0 25 16 1 0 0 0 0 26 4 1 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 7 1 0 0 0 0 29 26 2 0 0 0 0 30 8 1 0 0 0 0 30 27 2 0 0 0 0 31 9 1 0 0 0 0 31 28 2 0 0 0 0 32 14 1 0 0 0 0 33 17 2 0 0 0 0 34 17 1 0 0 0 0 35 18 2 0 0 0 0 36 10 1 0 0 0 0 37 11 2 0 0 0 0 38 12 1 0 0 0 0 39 13 2 0 0 0 0 40 16 1 0 0 0 0 41 18 1 0 0 0 0 41 25 2 0 0 0 0 42 15 2 0 0 0 0 43 32 2 0 0 0 0 43 42 1 0 0 0 0 44 35 1 0 0 0 0 45 33 1 0 0 0 0 46 34 2 0 0 0 0 47 43 1 0 0 0 0 47 45 1 0 0 0 0 48 44 1 0 0 0 0 48 46 1 0 0 0 0 49 25 1 0 0 0 0 49 44 2 0 0 0 0 50 36 2 0 0 0 0 50 37 1 0 0 0 0 51 38 2 0 0 0 0 51 39 1 0 0 0 0 52 19 1 0 0 0 0 52 40 1 0 0 0 0 53 20 1 0 0 0 0 54 21 1 0 0 0 0 55 45 2 0 0 0 0 55 46 1 0 0 0 0 56 47 1 0 0 0 0 56 53 1 0 0 0 0 57 48 1 0 0 0 0 57 54 1 0 0 0 0 58 22 1 0 0 0 0 59 23 1 0 0 0 0 60 24 1 0 0 0 0 61 26 1 0 0 0 0 62 27 1 0 0 0 0 63 28 1 0 0 0 0 64 29 1 0 0 0 0 65 30 1 0 0 0 0 66 31 1 0 0 0 0 67 32 1 0 0 0 0 68 33 1 0 0 0 0 69 34 1 0 0 0 0 70 35 1 0 0 0 0 71 36 1 0 0 0 0 72 37 1 0 0 0 0 73 38 1 0 0 0 0 74 39 1 0 0 0 0 75 40 1 0 0 0 0 76 49 1 0 0 0 0 77 50 1 0 0 0 0 78 51 1 0 0 0 0 79 58 2 0 0 0 0 80 59 2 0 0 0 0 81 41 1 0 0 0 0 81 52 1 0 0 0 0 82 42 1 0 0 0 0 82 53 1 0 0 0 0 83 54 1 0 0 0 0 83 55 1 0 0 0 0 84 56 1 0 0 0 0 84 58 1 0 0 0 0 85 57 1 0 0 0 0 85 59 1 0 0 0 0 M END > CHEM031174 > chemdb > OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C=C(O)C(C1C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC3=C(C4C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C(OC5=CC(O)=CC(O)=C45)C4=CC(O)=C(O)C=C4)C(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C2O > InChI=1S/C59H46O26/c60-24-14-32(67)43-42(15-24)82-53(20-2-5-27(62)30(65)8-20)56(84-58(79)22-10-36(71)50(77)37(72)11-22)47(43)45-33(68)17-34(69)46-48(44-35(70)18-41-25(49(44)76)16-40(75)52(81-41)19-1-4-26(61)29(64)7-19)57(85-59(80)23-12-38(73)51(78)39(74)13-23)54(83-55(45)46)21-3-6-28(63)31(66)9-21/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2 > QCFCSTSCUPJEFV-UHFFFAOYSA-N > C59H46O26 > 1170.9809 > 1170.227731644 > 24 > 110.76968369307765 > 0 > 19 > 0 > 0 > 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-8-[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 > 4.24 > 7.6055907793333315 > -3.49 > 1 > 11 > 0 > 8.319411426779473 > 7.77068189570089 > -5.487714479969019 > 464.66000000000014 > 290.5456999999998 > 11 > 0 > 3.80e-01 g/l > 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-8-[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 > 0 > Arecatannin B1 3,3'-digallate > 106533-65-7 $$$$