Phaseoluside A

Properties Image MNX_ID MNXM129199 reference chebi:231024 formula C48H80O18 global charge 0 mol weight 945.15 InChIKey ZKTQSWBSOLFYDL-UHFFFAOYSA-N InChI InChI=1S/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3 SMILES CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1 MNX internals InChI (mnx) InChI=1/C48H80O18/c1-43(2)16-23-22-8-9-28-45(4)12-11-30(46(5,21-52)27(45)10-13-48(28,7)47(22,6)15-14-44(23,3)29(53)17-43)64-42-37(60)39(66-41-36(59)34(57)32(55)25(19-50)62-41)38(26(20-51)63-42)65-40-35(58)33(56)31(54)24(18-49)61-40/h8,23-42,49-60H,9-21H2,1-7H3/t23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44?,45?,46?,47?,48? SMILES (mnx) [CH3:1][C:43]1([CH3:2])[CH2:16][CH:23]2[C:22]3=[CH:8][CH2:9][CH:28]4[C:45]5([CH3:4])[CH2:12][CH2:11][CH:30]([O:64][CH:42]6[CH:37]([OH:60])[CH:39]([O:66][CH:41]7[CH:36]([OH:59])[CH:34]([OH:57])[CH:32]([OH:55])[CH:25]([CH2:19][OH:50])[O:62]7)[CH:38]([O:65][CH:40]7[CH:35]([OH:58])[CH:33]([OH:56])[CH:31]([OH:54])[CH:24]([CH2:18][OH:49])[O:61]7)[CH:26]([CH2:20][OH:51])[O:63]6)[C:46]([CH3:5])([CH2:21][OH:52])[CH:27]5[CH2:10][CH2:13][C:48]4([CH3:7])[C:47]3([CH3:6])[CH2:15][CH2:14][C:44]2([CH3:3])[CH:29]([OH:53])[CH2:17]1

Parent-child relations graph

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