197044 -OEChem-04262414542D 92 94 0 0 0 0 0 0 0999 V2000 8.5136 -0.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0457 0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -3.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 0.3664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9777 -0.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 3.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 -2.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 -3.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9777 -3.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 1.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -4.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 2.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 -1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1060 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1117 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1117 -1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7457 0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7457 0.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 3.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9172 2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0136 -2.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0136 -2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9777 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 2.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8438 -1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 -3.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 -3.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7098 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 3.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 -4.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5758 -1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -4.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3016 -2.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3532 -1.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9104 -0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0963 -0.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2826 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0557 1.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2087 1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2826 1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4357 1.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2088 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 3.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4864 3.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6918 3.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0248 1.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5278 2.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8095 3.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 0.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5207 1.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2423 -1.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4452 -1.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 3.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 3.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7826 -3.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 -3.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -3.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4283 -1.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3113 -2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1083 -2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 3.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 3.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -2.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 -4.3186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9059 -5.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 -4.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8858 -2.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1127 -1.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2658 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 4.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 5.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 4.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0136 -4.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3936 -4.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -5.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 65 1 0 0 0 0 2 18 1 0 0 0 0 2 66 1 0 0 0 0 3 27 1 0 0 0 0 3 71 1 0 0 0 0 4 28 1 0 0 0 0 4 72 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 33 1 0 0 0 0 7 75 1 0 0 0 0 8 34 1 0 0 0 0 8 80 1 0 0 0 0 9 35 1 0 0 0 0 9 81 1 0 0 0 0 10 37 2 0 0 0 0 11 38 2 0 0 0 0 12 41 2 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 19 23 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 33 2 0 0 0 0 23 35 1 0 0 0 0 24 33 1 0 0 0 0 24 34 2 0 0 0 0 25 27 2 0 0 0 0 25 37 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 43 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 44 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 42 1 0 0 0 0 42 45 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 43 46 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 44 47 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 45 48 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 M END > 197044 > 1 > 1400 > 12 > 7 > 13 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAAABAAAAGgAACAAADgSAmAACBoAAAgCIAoBQAAACAAAkIAAAiAEECMgIJzaKFBKAcUAl4BUImQeI7OTPIAACCAAIAABAAAQQABAAAAAAAAAAAA== > 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-cyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxy-phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one > 4-[[3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone > 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one > 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one > 2-butanoyl-4-[[3-butanoyl-5-[[5-butanoyl-3,3-dimethyl-2,6-bis(oxidanyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]-2,4,6-tris(oxidanyl)phenyl]methyl]-6,6-dimethyl-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one > 2-butyryl-4-[3-butyryl-5-[(5-butyryl-2,6-dihydroxy-4-keto-3,3-dimethyl-cyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxy-benzyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one > InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-46H,8-15H2,1-7H3 > FRTCWDLFHSMTNW-UHFFFAOYSA-N > 4.9 > 668.28327683 > C36H44O12 > 668.7 > CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)CC3=C(C(C(=O)C(=C3O)C(=O)CCC)(C)C)O)O > CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)CC3=C(C(C(=O)C(=C3O)C(=O)CCC)(C)C)O)O > 227 > 668.28327683 > 0 > 48 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 23 33 8 23 35 8 24 33 8 24 34 8 34 36 8 35 36 8 $$$$