Mrv0541 02241216172D 113126 0 0 0 0 999 V2000 -5.3094 6.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3094 5.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 6.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0222 6.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 4.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 4.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 5.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 1.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 6.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2338 4.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 7.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3094 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3094 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 1.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 0.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 -0.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0589 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 -1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2995 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2995 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0188 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 -3.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 -3.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8938 -2.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 -3.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -1.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 3.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 3.7915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 4.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8477 2.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 1.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 2.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 2.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 0.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9436 2.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6462 4.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 4.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 -2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 -1.3562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -3.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3791 -1.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 -3.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -3.9037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 -2.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 -3.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 -3.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1777 -0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 -4.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -3.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 -3.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 -2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -3.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1675 -1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8836 -3.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -0.6864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -0.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -4.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 -4.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -5.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -5.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 -5.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -6.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -5.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8869 -3.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 0.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1774 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1774 1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9726 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3919 2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9726 1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 2.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 5.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 4.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7852 5.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 4.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 3.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6036 5.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 5.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 6.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -5.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 -2.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5082 -4.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7157 -4.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2965 -5.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0787 -6.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 -6.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 -5.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -5.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -6.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 -7.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -5.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -6.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 -2.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 9 2 0 0 0 0 3 11 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 10 44 2 0 0 0 0 10 45 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 21 1 0 0 0 0 20 99 2 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 28 2 0 0 0 0 23 30 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 30 57 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 39 1 0 0 0 0 34 45 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 43 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 42 80 1 0 0 0 0 42 88 2 0 0 0 0 43 89 1 0 0 0 0 43 90 2 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 47 50 1 0 0 0 0 47 51 1 0 0 0 0 48 54 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 52 54 1 0 0 0 0 52113 1 0 0 0 0 53 58 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 62 1 0 0 0 0 58100 1 0 0 0 0 58102 2 0 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 59 62 1 0 0 0 0 60 63 2 0 0 0 0 60 64 1 0 0 0 0 61 67 1 0 0 0 0 62101 2 0 0 0 0 63 65 1 0 0 0 0 63 66 1 0 0 0 0 64 70 2 0 0 0 0 64 71 1 0 0 0 0 65 67 2 0 0 0 0 65 68 1 0 0 0 0 67 69 1 0 0 0 0 68 79 1 0 0 0 0 69 78 1 0 0 0 0 70 72 1 0 0 0 0 71 74 2 0 0 0 0 71 77 1 0 0 0 0 72 73 2 0 0 0 0 72111 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 79 82 1 0 0 0 0 80 86 2 0 0 0 0 81 83 1 0 0 0 0 81 84 1 0 0 0 0 81 85 1 0 0 0 0 83 86 1 0 0 0 0 83 87 2 0 0 0 0 89 91 2 0 0 0 0 89 92 1 0 0 0 0 91 93 1 0 0 0 0 92 96 2 0 0 0 0 93 94 2 0 0 0 0 93 95 1 0 0 0 0 94 96 1 0 0 0 0 94 97 1 0 0 0 0 96 98 1 0 0 0 0 100103 2 0 0 0 0 100107 1 0 0 0 0 103104 1 0 0 0 0 104105 2 0 0 0 0 104108 1 0 0 0 0 105106 1 0 0 0 0 105109 1 0 0 0 0 106107 2 0 0 0 0 106110 1 0 0 0 0 111112 2 0 0 0 0 111113 1 0 0 0 0 M END > CHEM023448 > chemdb > OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(O)OC6COC(=O)C7=CC8=C(OC9(O)C(O8)C(=CC(=O)C9(O)O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)C(O)=C7C1=CC(=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC(O)=C(O)C(O)=C1 > InChI=1S/C68H48O45/c69-22-1-13(2-23(70)38(22)78)57(88)109-52-50-30-11-101-59(90)16-6-26(73)40(80)43(83)34(16)35-18(61(92)107-50)8-28(42(82)44(35)84)103-48-20(7-27(74)41(81)47(48)87)63(94)111-54-53(110-58(89)14-3-24(71)39(79)25(72)4-14)51-31(106-65(54)96)12-102-60(91)17-9-29-49(45(85)33(17)15-5-19(62(93)108-51)37(77)46(86)36(15)76)113-68(100)56(104-29)21(10-32(75)67(68,98)99)64(95)112-55(52)66(97)105-30/h1-10,30-31,50-56,65-66,69-74,76-87,96-100H,11-12H2 > GVAZVNNLUHMGOF-UHFFFAOYSA-N > C68H48O45 > 1585.0817 > 1584.146759526 > 36 > 138.66169043318428 > 0 > 23 > 0 > 0 > 4,5,6,12,19,20,21,24,29,30,30,37,45,46,47,50,51-heptadecahydroxy-9,17,31,34,42,54,61-heptaoxo-65-(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,27,35,38,41,55,58,62-undecaoxadodecacyclo[34.15.6.5¹⁴,²⁶.1¹¹,¹⁵.1¹⁸,²².1²⁵,²⁹.0³,⁸.0²⁸,³³.0³⁹,⁵⁶.0⁴³,⁴⁸.0⁴⁹,⁵³.0²³,⁶⁰]pentahexaconta-1(51),3,5,7,18,20,22(64),23,25,32,43(48),44,46,49,52,59-hexadecaen-57-yl 3,4,5-trihydroxybenzoate > 3.16 > 4.3113883223333325 > -2.40 > 1 > 14 > -2 > 7.008648834809153 > 6.456296768424288 > -4.346312236686701 > 738.9100000000005 > 349.9185999999999 > 6 > 0 > 6.29e+00 g/l > 4,5,6,12,19,20,21,24,29,30,30,37,45,46,47,50,51-heptadecahydroxy-9,17,31,34,42,54,61-heptaoxo-65-(3,4,5-trihydroxybenzoyloxy)-2,10,13,16,27,35,38,41,55,58,62-undecaoxadodecacyclo[34.15.6.5¹⁴,²⁶.1¹¹,¹⁵.1¹⁸,²².1²⁵,²⁹.0³,⁸.0²⁸,³³.0³⁹,⁵⁶.0⁴³,⁴⁸.0⁴⁹,⁵³.0²³,⁶⁰]pentahexaconta-1(51),3,5,7,18,20,22(64),23,25,32,43(48),44,46,49,52,59-hexadecaen-57-yl 3,4,5-trihydroxybenzoate > 0 > Eugeniflorin D2 > 189276-85-5 $$$$