Quinquenoside F1

Properties Image MNX_ID MNXM130217 reference chebi:197157 formula C42H74O15 global charge 0 mol weight 819.039 InChIKey UGMWBGKFEUXCMG-UHFFFAOYSA-N InChI InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3 SMILES CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C MNX internals InChI (mnx) InChI=1/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3/t20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41?,42? SMILES (mnx) [CH3:1][C:37]1([CH3:2])[CH:24]2[CH2:10][CH2:15][C:40]3([CH3:6])[CH:25]([CH2:17][CH:21]([OH:45])[CH:28]4[CH:20]([C:42]([CH3:8])([CH2:16][CH2:11][CH:26]([C:38]([CH3:3])([CH3:4])[OH:52])[OH:46])[OH:53])[CH2:9][CH2:14][C:41]43[CH3:7])[C:39]2([CH3:5])[CH2:13][CH2:12][CH:27]1[O:56][CH:36]1[CH:34]([O:57][CH:35]2[CH:33]([OH:51])[CH:31]([OH:49])[CH:29]([OH:47])[CH:22]([CH2:18][OH:43])[O:54]2)[CH:32]([OH:50])[CH:30]([OH:48])[CH:23]([CH2:19][OH:44])[O:55]1

Parent-child relations graph

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