Mrv0541 05061305472D 92102 0 0 0 0 999 V2000 -2.8066 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8742 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9557 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3627 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2812 1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9809 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9059 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9184 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6934 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0441 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7434 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 25 1 1 0 0 0 0 26 9 2 0 0 0 0 27 19 1 0 0 0 0 27 26 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 11 1 0 0 0 0 34 10 1 0 0 0 0 35 12 1 0 0 0 0 36 28 1 0 0 0 0 37 29 1 0 0 0 0 38 30 1 0 0 0 0 39 31 1 0 0 0 0 40 32 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 36 1 0 0 0 0 44 37 1 0 0 0 0 45 41 1 0 0 0 0 47 25 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 49 38 1 0 0 0 0 50 42 1 0 0 0 0 51 43 1 0 0 0 0 52 44 1 0 0 0 0 53 45 1 0 0 0 0 54 46 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 58 2 1 0 0 0 0 58 3 1 0 0 0 0 58 15 1 0 0 0 0 58 19 1 0 0 0 0 59 4 1 0 0 0 0 59 5 1 0 0 0 0 59 33 1 0 0 0 0 59 35 1 0 0 0 0 60 6 1 0 0 0 0 60 13 1 0 0 0 0 60 33 1 0 0 0 0 60 34 1 0 0 0 0 61 7 1 0 0 0 0 61 16 1 0 0 0 0 61 26 1 0 0 0 0 62 8 1 0 0 0 0 62 14 1 0 0 0 0 62 34 1 0 0 0 0 62 61 1 0 0 0 0 63 17 1 0 0 0 0 63 18 1 0 0 0 0 63 27 1 0 0 0 0 63 57 1 0 0 0 0 64 20 1 0 0 0 0 65 21 1 0 0 0 0 66 28 1 0 0 0 0 67 29 1 0 0 0 0 68 30 1 0 0 0 0 69 36 1 0 0 0 0 70 37 1 0 0 0 0 71 38 1 0 0 0 0 72 39 1 0 0 0 0 73 40 1 0 0 0 0 74 41 1 0 0 0 0 75 42 1 0 0 0 0 76 43 1 0 0 0 0 77 44 1 0 0 0 0 78 45 1 0 0 0 0 79 46 1 0 0 0 0 80 57 2 0 0 0 0 81 22 1 0 0 0 0 81 51 1 0 0 0 0 82 23 1 0 0 0 0 82 52 1 0 0 0 0 83 24 1 0 0 0 0 83 55 1 0 0 0 0 84 25 1 0 0 0 0 84 54 1 0 0 0 0 85 31 1 0 0 0 0 85 53 1 0 0 0 0 86 32 1 0 0 0 0 86 56 1 0 0 0 0 87 35 1 0 0 0 0 87 56 1 0 0 0 0 88 47 1 0 0 0 0 88 51 1 0 0 0 0 89 48 1 0 0 0 0 89 52 1 0 0 0 0 90 49 1 0 0 0 0 90 54 1 0 0 0 0 91 50 1 0 0 0 0 91 53 1 0 0 0 0 92 55 1 0 0 0 0 92 57 1 0 0 0 0 M END > FDB003182 > foodb > CC1OC(OC2C(O)C(O)COC2OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC3)C(O)C(OC2OCC(O)C(O)C2O)C1OC1OCC(O)C(O)C1O > InChI=1S/C63H102O29/c1-25-47(88-51-43(76)36(69)28(66)22-81-51)48(89-52-44(77)37(70)29(67)23-82-52)46(79)54(84-25)90-49-38(71)30(68)24-83-55(49)92-57(80)63-17-15-58(2,3)19-27(63)26-9-10-34-60(6)13-12-35(59(4,5)33(60)11-14-62(34,8)61(26,7)16-18-63)87-56-50(42(75)40(73)32(21-65)86-56)91-53-45(78)41(74)39(72)31(20-64)85-53/h9,25,27-56,64-79H,10-24H2,1-8H3 > CGMMPQTXKGHQLK-UHFFFAOYSA-N > C63H102O29 > 1323.4666 > 1322.650677302 > 28 > 136.37718895185674 > 0 > 16 > 0 > 0 > 4,5-dihydroxy-3-({3-hydroxy-6-methyl-4,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 0.72 > -1.5894980956666644 > -2.88 > 1 > 11 > 0 > 12.074127903024843 > 11.673923782249199 > -3.672686771933275 > 451.5100000000002 > 308.69099999999975 > 15 > 0 > 1.74e+00 g/l > 4,5-dihydroxy-3-({3-hydroxy-6-methyl-4,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)oxan-2-yl 10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > FDB003182 > Acutoside F $$$$