Mrv0541 05061309012D 109120 0 0 0 0 999 V2000 2.3648 3.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 3.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9859 0.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 1.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0654 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 -1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 -1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6864 -2.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0376 4.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 3.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 4.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2089 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2089 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9233 1.0655 0.0000 O 0 0 0 0 0 0 0 0 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0 7.3661 4.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 5.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 4.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 5.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 5.6030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 6.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 6.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 5.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 7.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 6.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 5.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2089 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2089 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9233 -3.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6378 -2.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6378 -1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9233 -1.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 -1.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0667 -1.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 -3.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9233 -3.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4944 -3.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -0.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0806 1.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 0.2405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 1.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3661 2.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6378 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0667 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0667 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6378 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7812 1.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3523 1.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3022 1.4067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 -0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 86 2 0 0 0 0 12 46 1 0 0 0 0 13 14 2 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 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17109 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 34 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 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 43 1 0 0 0 0 36 37 1 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 44 2 0 0 0 0 40 45 1 0 0 0 0 42100 1 0 0 0 0 43 75 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 55 1 0 0 0 0 48 49 1 0 0 0 0 48 54 1 0 0 0 0 49 50 1 0 0 0 0 49 53 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 53 87 1 0 0 0 0 54 90 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 65 1 0 0 0 0 58 59 1 0 0 0 0 58 64 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 72 1 0 0 0 0 70 71 1 0 0 0 0 70 73 1 0 0 0 0 71 74 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 76 77 1 0 0 0 0 76 85 1 0 0 0 0 77 78 1 0 0 0 0 77 84 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 90 91 1 0 0 0 0 90 95 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 96 1 0 0 0 0 93 94 1 0 0 0 0 93 97 1 0 0 0 0 94 95 1 0 0 0 0 94 98 1 0 0 0 0 95 99 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103106 1 0 0 0 0 104105 1 0 0 0 0 104107 1 0 0 0 0 105108 1 0 0 0 0 M END > FDB015140 > foodb > CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C72H112O37/c1-25-38(79)42(83)47(88)61(97-25)106-55-52(100-28(4)75)27(3)99-64(57(55)108-62-49(90)44(85)51(26(2)98-62)103-59-45(86)39(80)31(76)22-95-59)109-66(94)72-18-17-67(5,6)19-30(72)29-11-12-35-68(7)15-14-37(69(8,24-74)34(68)13-16-70(35,9)71(29,10)20-36(72)78)102-65-56(107-63-48(89)43(84)41(82)33(21-73)101-63)53(50(91)54(105-65)58(92)93)104-60-46(87)40(81)32(77)23-96-60/h11,24-27,30-57,59-65,73,76-91H,12-23H2,1-10H3,(H,92,93) > GQXBCSUNTDVPNP-UHFFFAOYSA-N > C72H112O37 > 1569.6375 > 1568.688244598 > 35 > 157.5390620510883 > 0 > 18 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-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-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.26 > -3.333183522000003 > -2.66 > 1 > 12 > -1 > 11.659977720897842 > 3.2818261816048437 > -3.739145097769568 > 570.8700000000001 > 355.30559999999986 > 20 > 0 > 3.45e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > FDB015140 > Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester $$$$