9897663 -OEChem-05052407072D 112118 0 1 0 0 0 0 0999 V2000 3.4333 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6892 12.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8174 10.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0969 13.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8328 14.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 11.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4251 13.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5648 14.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 20.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 10.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2171 19.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2171 17.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 19.2923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4333 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5673 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2994 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2994 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9610 13.3584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8290 13.8551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9572 12.3584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6930 13.3517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7013 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8212 11.8551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5610 13.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 18.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 19.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 17.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 19.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 18.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 10.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 19.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9414 9.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 10.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1654 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1493 10.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 19.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 19.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 19.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 19.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 19.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 19.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 18.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 19.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2708 18.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 17.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8007 18.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5673 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 13.9784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 14.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 12.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2288 13.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2831 11.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0998 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9703 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 18.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 17.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 19.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 19.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 17.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 17.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 20.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 20.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 17.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 18.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 14.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2971 15.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 12.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5684 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 9.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 11.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5684 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9632 13.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 18.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 20.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 11.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 18.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 20.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 20.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0018 17.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 17.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2615 18.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2615 19.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 1 0 0 0 0 2 30 1 0 0 0 0 2 32 1 0 0 0 0 22 3 1 1 0 0 0 3 78 1 0 0 0 0 23 4 1 6 0 0 0 4 79 1 0 0 0 0 26 5 1 6 0 0 0 5 39 1 0 0 0 0 25 6 1 1 0 0 0 6 80 1 0 0 0 0 7 32 1 0 0 0 0 7 40 1 0 0 0 0 27 8 1 1 0 0 0 8 91 1 0 0 0 0 28 9 1 1 0 0 0 9 92 1 0 0 0 0 29 10 1 6 0 0 0 10 93 1 0 0 0 0 11 31 1 0 0 0 0 11 94 1 0 0 0 0 12 33 1 0 0 0 0 12100 1 0 0 0 0 13 33 2 0 0 0 0 14 48 1 0 0 0 0 14 51 1 0 0 0 0 15 41 1 0 0 0 0 15103 1 0 0 0 0 16 43 2 0 0 0 0 17 52 1 0 0 0 0 17105 1 0 0 0 0 18 53 2 0 0 0 0 19 62 1 0 0 0 0 19 65 1 0 0 0 0 20 63 1 0 0 0 0 20 65 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 66 1 0 0 0 0 23 25 1 0 0 0 0 23 67 1 0 0 0 0 24 31 1 6 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 71 1 0 0 0 0 28 30 1 0 0 0 0 28 72 1 0 0 0 0 29 32 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 1 0 0 0 30 74 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 75 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 37 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 38 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 40 44 1 0 0 0 0 40 46 2 0 0 0 0 41 47 1 0 0 0 0 42 49 2 0 0 0 0 42 95 1 0 0 0 0 43 55 1 0 0 0 0 44 48 2 0 0 0 0 44 96 1 0 0 0 0 45 47 2 0 0 0 0 45 49 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 46 97 1 0 0 0 0 47 98 1 0 0 0 0 48 50 1 0 0 0 0 49 99 1 0 0 0 0 50 52 2 0 0 0 0 50 53 1 0 0 0 0 51 54 2 0 0 0 0 53 54 1 0 0 0 0 54101 1 0 0 0 0 55 56 2 0 0 0 0 55102 1 0 0 0 0 56 57 1 0 0 0 0 56104 1 0 0 0 0 57 58 2 0 0 0 0 57106 1 0 0 0 0 58 59 1 0 0 0 0 58107 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 60108 1 0 0 0 0 61 64 2 0 0 0 0 61109 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64110 1 0 0 0 0 65111 1 0 0 0 0 65112 1 0 0 0 0 M END > 9897663 > 1 > 1480 > 20 > 10 > 10 > AAADcfB+PgAAAAAAAAAAAAAAAAAAASAAAAA8aNECAAAAAEiBUAAAHgAACAAADBTxmAcwDoMABgCIAqHSGAKCCAAkIAAIiAFOiMgdNzaGtR6meWOl5hWPuYfa7LzOIAABCAAIQABAAAIQABCAAAAAAAAAAA== > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one;(2S,3R,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone;(2S,3R,4S,5R)-3,4,5-trihydroxy-6-[[5-hydroxy-2-[3-hydroxy-4-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanecarboxylic acid > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2S,3R,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one;(2S,3R,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one;(2S,3R,4S,5R)-6-[2-[4-[(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-phenyl]-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one;(2S,3R,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C27H28O17.C17H19NO3/c28-7-16-18(32)19(33)22(36)27(43-16)42-13-2-1-8(3-10(13)29)14-6-12(31)17-11(30)4-9(5-15(17)41-14)40-26-23(37)20(34)21(35)24(44-26)25(38)39;19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h1-6,16,18-24,26-30,32-37H,7H2,(H,38,39);2-3,6-9,12H,1,4-5,10-11,13H2/b;6-2+,7-3+/t16-,18-,19+,20-,21+,22-,23+,24-,26?,27-;/m0./s1 > FKCRUQYODLLGFH-OPYKAOECSA-N > 909.26914289 > C44H47NO20 > 909.8 > C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3.C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O > C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3.C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)O)O)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O > 321 > 909.26914289 > 0 > 65 > 9 > 1 > 2 > 0 > 0 > 2 > -1 > 1 5 255 > 29 10 6 14 48 8 14 51 8 24 31 6 22 3 5 30 33 5 39 41 8 39 42 8 23 4 6 40 44 8 40 46 8 41 47 8 42 49 8 44 48 8 45 47 8 45 49 8 46 52 8 48 50 8 26 5 6 50 52 8 50 53 8 51 54 8 53 54 8 59 60 8 59 61 8 25 6 5 60 62 8 61 64 8 62 63 8 63 64 8 32 7 3 27 8 5 28 9 5 $$$$