Mrv0541 05061312112D 67 74 0 0 0 0 999 V2000 5.7160 2.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2873 2.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8587 -0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 -0.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5317 4.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0022 3.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4715 4.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 -0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 0.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -3.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -3.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -4.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8587 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 1.7468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -3.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -1.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 -1.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7136 -0.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 -1.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -0.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4295 0.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0009 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 0.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 -0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 -0.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -1.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4286 -1.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -1.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 -0.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 66 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 60 1 0 0 0 0 53 54 1 0 0 0 0 53 67 1 0 0 0 0 54 55 1 0 0 0 0 54 58 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 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 64 65 1 0 0 0 0 65 66 1 0 0 0 0 M END > CHEM025026 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O > InChI=1S/C48H76O19/c1-43(2)14-16-48(42(60)61)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(67-40-33(56)31(54)29(52)24(20-50)63-40)35(34(57)36(66-41)38(58)59)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-57H,9-20H2,1-7H3,(H,58,59)(H,60,61) > YDZWHGJRWMQCDP-UHFFFAOYSA-N > C48H76O19 > 957.1056 > 956.49808025 > 19 > 102.86850921739185 > 0 > 11 > 0 > 0 > 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid > 2.16 > 1.6026010343333343 > -3.67 > 1 > 8 > -2 > 4.7609467280709135 > 3.320550725410431 > -3.678621636626149 > 312.05 > 230.7318000000001 > 10 > 0 > 2.03e-01 g/l > 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxane-2-carboxylic acid > 0 > Elatoside I > 52657-00-8 > Elatoside B $$$$