Mrv0541 05061309292D 66 73 0 0 0 0 999 V2000 8.6038 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6644 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9686 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9907 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9907 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8485 2.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8485 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4196 2.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4196 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4209 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9894 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4196 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7064 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1341 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7064 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9920 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2775 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9894 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2775 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8485 1.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1341 3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9907 0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7051 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1341 1.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 1.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1354 1.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 -2.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4697 -0.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4209 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9920 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5630 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9894 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8485 0.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 0.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9920 1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4183 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5604 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5630 1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 14 13 1 0 0 0 0 21 7 2 0 0 0 0 22 15 1 0 0 0 0 22 21 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 25 18 1 0 0 0 0 26 9 1 0 0 0 0 27 8 1 0 0 0 0 28 16 1 0 0 0 0 29 10 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 37 23 1 0 0 0 0 37 36 1 0 0 0 0 38 36 1 0 0 0 0 39 34 1 0 0 0 0 40 35 1 0 0 0 0 42 1 1 0 0 0 0 42 2 1 0 0 0 0 42 13 1 0 0 0 0 42 15 1 0 0 0 0 43 3 1 0 0 0 0 43 11 1 0 0 0 0 43 26 1 0 0 0 0 43 27 1 0 0 0 0 44 4 1 0 0 0 0 44 20 1 0 0 0 0 44 26 1 0 0 0 0 44 29 1 0 0 0 0 45 5 1 0 0 0 0 45 12 1 0 0 0 0 45 27 1 0 0 0 0 46 6 1 0 0 0 0 46 16 1 0 0 0 0 46 21 1 0 0 0 0 46 45 1 0 0 0 0 47 14 1 0 0 0 0 47 22 1 0 0 0 0 47 28 1 0 0 0 0 47 41 1 0 0 0 0 48 17 1 0 0 0 0 49 18 1 0 0 0 0 50 20 1 0 0 0 0 51 23 1 0 0 0 0 52 28 1 0 0 0 0 53 30 1 0 0 0 0 54 31 1 0 0 0 0 55 32 1 0 0 0 0 56 33 1 0 0 0 0 57 34 1 0 0 0 0 58 35 1 0 0 0 0 59 36 1 0 0 0 0 60 41 2 0 0 0 0 61 19 1 0 0 0 0 61 38 1 0 0 0 0 62 24 1 0 0 0 0 62 39 1 0 0 0 0 63 25 1 0 0 0 0 63 40 1 0 0 0 0 64 29 1 0 0 0 0 64 38 1 0 0 0 0 65 37 1 0 0 0 0 65 39 1 0 0 0 0 66 40 1 0 0 0 0 66 41 1 0 0 0 0 M END > FDB015939 > foodb > CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C47H76O19/c1-42(2)13-14-47(41(60)66-40-35(58)33(56)31(54)25(18-49)63-40)22(15-42)21-7-8-27-43(3)11-10-29(44(4,20-50)26(43)9-12-45(27,5)46(21,6)16-28(47)52)64-38-36(59)37(23(51)19-61-38)65-39-34(57)32(55)30(53)24(17-48)62-39/h7,22-40,48-59H,8-20H2,1-6H3 > YDZLBSWZAGVYGM-UHFFFAOYSA-N > C47H76O19 > 945.0949 > 944.49808025 > 18 > 101.36645657528632 > 0 > 12 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate > 0.33 > -1.0961532329999994 > -2.98 > 1 > 8 > 0 > 12.202518522419554 > 11.761348518541963 > -3.5334489028419176 > 315.2100000000001 > 228.21000000000004 > 10 > 0 > 9.90e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate > 0 > FDB015939 > Araliasaponin II $$$$