Mrv1652309272007252D 91100 0 0 0 0 999 V2000 -4.7320 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4466 -1.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -1.8741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0176 -1.4617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0176 -0.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3030 -1.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -1.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -0.6366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3031 -0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -0.2240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8742 0.6009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5886 1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1594 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 0.6011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1598 1.0136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2689 1.8388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4454 2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 -0.2237 0.0000 C 0 0 0 0 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0 0 0 0 0 0 0 0 0 3.8413 0.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 2.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -0.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -1.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4125 -1.8733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4125 -2.6984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1269 -3.1107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8415 -2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8415 -1.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -3.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -3.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 3.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 3.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6978 4.3142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9831 4.7269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2686 4.3142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2684 3.4891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9832 3.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 4.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 3.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 5.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 3.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4124 4.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 2.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 3.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 -2.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -3.5241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4466 -3.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4465 -4.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7321 -5.1742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0175 -4.7618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0175 -3.9366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3031 -5.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -5.9991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 -3.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1610 -5.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8755 -4.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5898 -5.1742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5899 -5.9990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3043 -6.4115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0186 -5.9991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0188 -5.1741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3043 -4.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7331 -4.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4474 -5.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7330 -6.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8755 -6.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3043 -7.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 4 6 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 9 13 2 0 0 0 0 8 10 1 0 0 0 0 15 16 1 0 0 0 0 11 16 1 0 0 0 0 10 14 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 20 15 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 1 21 1 0 0 0 0 21 2 1 0 0 0 0 10 25 1 6 0 0 0 16 26 1 6 0 0 0 4 28 1 6 0 0 0 8 29 1 1 0 0 0 28 32 2 0 0 0 0 17 27 1 6 0 0 0 5 24 1 1 0 0 0 11 30 1 1 0 0 0 15 31 1 1 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 17 1 0 0 0 0 15 33 1 0 0 0 0 27 36 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 36 37 1 0 0 0 0 38 44 1 1 0 0 0 44 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 46 47 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 46 45 1 6 0 0 0 47 52 1 1 0 0 0 48 53 1 6 0 0 0 49 54 1 6 0 0 0 40 43 1 1 0 0 0 39 42 1 6 0 0 0 55 56 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 56 57 1 0 0 0 0 60 63 1 6 0 0 0 60 61 1 0 0 0 0 56 61 1 0 0 0 0 63 65 1 0 0 0 0 59 62 1 1 0 0 0 58 64 1 6 0 0 0 57 66 1 1 0 0 0 36 67 1 6 0 0 0 56 68 1 1 0 0 0 41 55 1 6 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 70 71 1 0 0 0 0 70 69 1 1 0 0 0 73 77 1 6 0 0 0 74 76 1 1 0 0 0 75 78 1 6 0 0 0 72 79 1 1 0 0 0 28 69 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 81 82 1 0 0 0 0 81 80 1 1 0 0 0 85 87 1 1 0 0 0 82 90 1 6 0 0 0 87 88 1 0 0 0 0 84 89 1 6 0 0 0 83 91 1 1 0 0 0 85 86 1 0 0 0 0 81 86 1 0 0 0 0 79 80 1 0 0 0 0 M END > FDB093554 > foodb > [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@@]2([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C59H96O27/c1-54(2)14-16-59(53(76)86-51-46(75)41(70)37(66)29(82-51)23-79-49-44(73)39(68)35(64)27(19-60)80-49)17-15-57(6)24(25(59)18-54)8-9-32-56(5)12-11-33(55(3,4)31(56)10-13-58(32,57)7)84-52-47(85-50-45(74)40(69)36(65)28(20-61)81-50)42(71)38(67)30(83-52)22-78-48-43(72)34(63)26(62)21-77-48/h8,25-52,60-75H,9-23H2,1-7H3/t25-,26+,27-,28-,29-,30-,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,47-,48+,49-,50+,51+,52+,56+,57-,58-,59+/m1/s1 > JPNLVTCHCCRENP-TVJXBIECSA-N > C59H96O27 > 1237.39 > 1236.613897831 > 26 > 182 > 129.8134760412142 > 0 > 16 > 0 > 0 > (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)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 > 0.21 > -2.126242300666667 > -2.94 > 1 > 10 > 0 > 12.082295721687252 > 11.672567786217465 > -3.678613072130494 > 433.0500000000001 > 289.7464 > 15 > 0 > 1.41e+00 g/l > (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)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 > FDB093554 > beta-D-Glucopyranosyl(1_2)-beta-D-glucopyranosyl 3-O-{beta-D-glucopyranosyl(1_2)-[alpha-L-arabinopyranosyl(1_6)]-beta-D-glucopyranosyl}-oleanolate $$$$