Mrv0541 05061312362D 96106 0 0 0 0 999 V2000 -3.4647 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 -2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0363 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0363 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 -1.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0363 0.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 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0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1074 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1074 1.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7041 2.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6798 0.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3947 0.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1084 0.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8233 0.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1084 1.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3947 1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6798 1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6798 2.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 2.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 2.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 1.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9652 2.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7091 -2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 -2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 -1.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 0.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5377 2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2512 2.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 -1.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9656 -2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2512 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2512 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9662 1.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8233 1.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 0.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8233 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 58 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 4 96 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 61 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 38 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 45 1 0 0 0 0 32 33 1 0 0 0 0 32 51 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 1 0 0 0 0 39 42 1 0 0 0 0 40 41 1 0 0 0 0 40 55 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 54 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 66 1 0 0 0 0 64 65 1 0 0 0 0 64 79 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 78 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 73 1 0 0 0 0 71 72 1 0 0 0 0 71 82 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 83 1 0 0 0 0 75 76 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 92 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 91 1 0 0 0 0 88 89 1 0 0 0 0 88 95 1 0 0 0 0 89 90 1 0 0 0 0 89 93 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 M END > FDB021278 > foodb > CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1C)C(=O)OC1OC(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C65H106O31/c1-24-11-16-65(60(84)96-58-49(82)44(77)40(73)32(91-58)23-86-54-50(83)45(78)52(31(21-68)90-54)94-57-48(81)43(76)39(72)30(20-67)89-57)18-17-63(7)27(36(65)25(24)2)9-10-34-62(6)14-13-35(61(4,5)33(62)12-15-64(34,63)8)92-59-53(95-55-46(79)41(74)37(70)26(3)87-55)51(28(69)22-85-59)93-56-47(80)42(75)38(71)29(19-66)88-56/h9,24-26,28-59,66-83H,10-23H2,1-8H3 > KQIHCENNAZOODK-UHFFFAOYSA-N > C65H106O31 > 1383.5185 > 1382.671806674 > 30 > 144.33215457175243 > 0 > 18 > 0 > 0 > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-[(5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-1,2,6a,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 > 0.09 > -2.8631960033333335 > -2.76 > 1 > 11 > 0 > 12.00676749264809 > 11.611107412702259 > -3.678621634301547 > 491.9700000000002 > 320.6894999999999 > 17 > 0 > 2.39e+00 g/l > 6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-[(5-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylate > 0 > FDB021278 > Matesaponin 5 $$$$