Tragopogonsaponin L

Properties Image MNX_ID MNXM144936 reference hmdb:HMDB0037926 formula C50H74O15 global charge 0 mol weight 915.127 InChIKey CCLLWPLSBGBSKT-UHFFFAOYSA-N InChI InChI=1S/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3 SMILES CC1(C)CCC2(C(=O)OC3OCC(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC(=O)CCC3=CC=C(O)C=C3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C50H74O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-9,11-13,29-35,37-43,51-55,57-59H,10,14-25H2,1-7H3/t29?,30?,31?,32?,33?,34?,35?,37?,38?,39?,40?,41?,42?,43?,47?,48?,49?,50? SMILES (mnx) [CH3:1][C:45]1([CH3:2])[CH2:20][CH2:21][C:50]2([C:44](=[O:60])[O:65][CH:43]3[CH:41]([O:63][C:36]([CH2:15][CH2:10][C:26]4=[CH:9][CH:12]=[C:27]([OH:52])[CH:11]=[CH:8]4)=[O:56])[CH:40]([O:64][CH:42]4[CH:39]([OH:59])[CH:38]([OH:58])[CH:37]([OH:57])[CH:31]([CH2:24][OH:51])[O:62]4)[CH:30]([OH:53])[CH2:25][O:61]3)[CH:29]([CH2:22]1)[C:28]1=[CH:13][CH2:14][CH:33]3[C:47]4([CH3:5])[CH2:18][CH2:17][CH:34]([OH:54])[C:46]([CH3:3])([CH3:4])[CH:32]4[CH2:16][CH2:19][C:48]3([CH3:6])[C:49]1([CH3:7])[CH2:23][CH:35]2[OH:55]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0