Mrv0541 02241207482D 106115 0 0 0 0 999 V2000 -0.7144 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 0.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 0.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 1.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.8257 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.4279 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -3.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -4.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -4.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 2.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 4.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 4.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 5.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 5.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 4.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 4.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 4.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 4.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 4.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 3.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 -0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 -2.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -2.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 -3.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 -2.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -3.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -4.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 -4.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 -4.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2866 -5.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 5.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 5.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 5.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 6.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 7.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 7.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 8.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 -0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -2.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -2.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 -3.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 -4.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 -4.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 -3.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 -2.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -3.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1445 6.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 6.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 7.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 8.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 7.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 8.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 9.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 4.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 4.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 3.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 2.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 0.4118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 0.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -4.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -4.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -5.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -5.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -6.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 -7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 -7.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -8.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 -9.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 -7.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 -7.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 -8.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4303 -9.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 -8.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5731 -9.0759 0.0000 C 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 7 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 57 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 33 78 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 47 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 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 1 0 0 0 0 54 55 1 0 0 0 0 54 69 1 0 0 0 0 55 56 1 0 0 0 0 55 75 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 59 67 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 66 1 0 0 0 0 63 64 1 0 0 0 0 64 93 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 74 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 2 0 0 0 0 82 83 2 0 0 0 0 83 84 1 0 0 0 0 83 90 1 0 0 0 0 84 85 1 0 0 0 0 84 87 2 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 90 91 1 0 0 0 0 92 93 2 0 0 0 0 93 94 1 0 0 0 0 94 95 2 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 2 0 0 0 0 97 98 2 0 0 0 0 98 99 1 0 0 0 0 98105 1 0 0 0 0 99100 1 0 0 0 0 99102 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 105106 1 0 0 0 0 M CHG 1 14 1 M END > CHEM034299 > chemdb > COC1=CC(\C=C\C(=O)OCC2OC(OC3=CC(O)=C4C=C(OC5OC(COC6OC(COC(=O)\C=C\C7=CC(OC)=C(O)C(OC)=C7)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C(O)C5O)C(=[O+]C4=C3)C3=CC=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)C(O)C(O)C2O)=CC(OC)=C1O > InChI=1S/C67H80O39/c1-90-33-11-24(12-34(91-2)45(33)74)5-9-43(72)94-21-40-49(78)54(83)56(85)64(104-40)97-27-16-30(71)28-18-37(61(98-31(28)17-27)26-7-8-29(70)32(15-26)99-65-57(86)52(81)47(76)38(19-68)101-65)100-66-58(87)55(84)50(79)41(105-66)23-96-63-60(89)62(106-67-59(88)53(82)48(77)39(20-69)102-67)51(80)42(103-63)22-95-44(73)10-6-25-13-35(92-3)46(75)36(14-25)93-4/h5-18,38-42,47-60,62-69,76-89H,19-23H2,1-4H3,(H3-,70,71,72,73,74,75)/p+1 > HWNDTEYNINVJQQ-UHFFFAOYSA-O > C67H81O39 > 1510.3366 > 1509.43549785 > 36 > 145.83553043955774 > 0 > 20 > 1 > 0 > 3-{[6-({[3,5-dihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 1.29 > -3.356399999999998 > -3.37 > 1 > 10 > 0 > 8.185806155306297 > 6.524593471158181 > -3.9540610556364717 > 599.5600000000003 > 354.32290000000006 > 28 > 0 > 6.60e-01 g/l > 3-{[6-({[3,5-dihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium > 0 > Alatanin A > 139610-21-2 $$$$