ChEBI 61 67 0 0 1 0 0 0 0 0 31 V2000 15.4395 -23.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -24.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -25.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4395 -26.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5895 -25.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8132 -26.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9631 -25.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9631 -24.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8132 -23.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5895 -24.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8132 -22.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9631 -21.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1868 -22.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1868 -23.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3368 -24.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4868 -23.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4868 -22.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3368 -21.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3368 -20.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4868 -19.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7105 -20.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7105 -21.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5991 -27.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1767 -27.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5895 -22.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9767 -22.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2004 -24.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5015 -20.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7054 -18.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2682 -18.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5895 -26.6166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8132 -24.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3368 -22.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6480 -17.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4340 -18.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6693 -21.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 -26.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 -26.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -26.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 -28.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6545 -26.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -28.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -28.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8063 -24.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5027 -26.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5028 -28.8675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -30.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -30.8624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8063 -23.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6544 -22.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9581 -22.8823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6544 -21.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 -21.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8062 -20.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5026 -23.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5026 -20.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8062 -19.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1098 -20.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1098 -19.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9643 -30.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0494 -21.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 10 25 1 1 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 5 31 1 6 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 23 1 6 0 0 0 4 24 1 1 0 0 0 3 2 1 0 0 0 0 11 9 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 6 0 0 0 7 8 1 0 0 0 0 14 8 1 0 0 0 0 8 26 1 1 0 0 0 7 6 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 15 14 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 6 0 0 0 18 13 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 19 18 1 0 0 0 0 17 18 1 0 0 0 0 18 33 1 1 0 0 0 22 17 1 0 0 0 0 17 28 1 1 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 20 30 1 1 0 0 0 20 29 1 6 0 0 0 21 22 1 0 0 0 0 34 30 2 0 0 0 0 35 30 1 0 0 0 0 36 11 2 0 0 0 0 3 37 1 1 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 38 37 1 1 0 0 0 39 44 1 1 0 0 0 41 45 1 6 0 0 0 43 46 1 1 0 0 0 42 47 1 6 0 0 0 48 47 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 54 1 0 0 0 0 49 44 1 1 0 0 0 50 55 1 6 0 0 0 52 56 1 1 0 0 0 54 57 1 6 0 0 0 53 58 1 1 0 0 0 59 58 1 0 0 0 0 60 47 2 0 0 0 0 61 58 2 0 0 0 0 M ZZC 1 1 M ZZC 2 2 M ZZC 3 3 M ZZC 4 4 M ZZC 5 5 M ZZC 6 6 M ZZC 7 7 M ZZC 8 8 M ZZC 9 9 M ZZC 10 10 M ZZC 11 11 M ZZC 12 12 M ZZC 13 13 M ZZC 14 14 M ZZC 15 15 M ZZC 16 16 M ZZC 17 17 M ZZC 18 18 M ZZC 19 19 M ZZC 20 20 M ZZC 21 21 M ZZC 22 22 M ZZC 23 23 M ZZC 24 24 M ZZC 25 25 M ZZC 26 26 M ZZC 27 27 M ZZC 28 28 M ZZC 29 29 M ZZC 30 30 M END > CHEBI:15939 > glycyrrhizinic acid > A triterpenoid saponin that is the glucosiduronide derivative of 3β-hydroxy-11-oxoolean-12-en-30-oic acid. > 3 > CHEBI:5508; CHEBI:24418 > Glycyrrhizin; glycyrrhizic acid; Glycyrrhizic acid; (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid > 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid > C42H62O16 > 822.93210 > 822.40379 > 0 > [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O > InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 > LPLVUJXQOOQHMX-QWBHMCJMSA-N > 77922 > 1405-86-3 > 77922 > 1405-86-3 > C02284 > LMPR0106150013 > GLYCYRRHIZINATE > Glycyrrhizin > 11282481; 15013279; 24497916 $$$$