Hovenidulcioside A1

Properties Image MNX_ID MNXM126552 reference chebi:176326 formula C44H68O16 global charge 0 mol weight 853.012 InChIKey ODNHLYCLMUNJRG-UHFFFAOYSA-N InChI InChI=1S/C44H68O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h15,21-22,24-30,32-37,39-40,45,48-52H,9-14,16-19H2,1-8H3 SMILES CC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C12COC(=O)C2 MNX internals InChI (mnx) InChI=1/C44H68O16/c1-20-15-24(57-38(20)53)16-26(56-23(4)46)21(2)25-9-10-29-42(7)13-12-30(41(5,6)28(42)11-14-43(29,8)44(25)17-31(47)54-19-44)59-40-37(35(51)33(49)27(18-45)58-40)60-39-36(52)34(50)32(48)22(3)55-39/h15,21-22,24-30,32-37,39-40,45,48-52H,9-14,16-19H2,1-8H3/t21?,22?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,42?,43?,44? SMILES (mnx) [CH3:1][C:20]1=[CH:15][CH:24]([CH2:16][CH:26]([CH:21]([CH3:2])[CH:25]2[CH2:9][CH2:10][CH:29]3[C:42]4([CH3:7])[CH2:13][CH2:12][CH:30]([O:59][CH:40]5[CH:37]([O:60][CH:39]6[CH:36]([OH:52])[CH:34]([OH:50])[CH:32]([OH:48])[CH:22]([CH3:3])[O:55]6)[CH:35]([OH:51])[CH:33]([OH:49])[CH:27]([CH2:18][OH:45])[O:58]5)[C:41]([CH3:5])([CH3:6])[CH:28]4[CH2:11][CH2:14][C:43]3([CH3:8])[C:44]23[CH2:17][C:31](=[O:47])[O:54][CH2:19]3)[O:56][C:23]([CH3:4])=[O:46])[O:57][C:38]1=[O:53]

Parent-child relations graph

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