trehalose-trans-methoxy-mono-mycolate

Properties Image Occurences in reactions MNX_ID MNXM7835 #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0 formula C98H190O14 charge 0 mass 1591.41556 reference metacycM:CPD1G-1346 InChIKey AMROMUFVHNPOEQ-BZZONOHYSA-N InChI InChI=1S/C98H190O14/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-33-39-45-51-57-63-69-75-84(96(107)109-80-89-91(102)93(104)95(106)98(111-89)112-97-94(105)92(103)90(101)88(79-99)110-97)86(100)76-70-64-58-52-46-40-35-38-44-50-56-62-68-74-83-78-85(83)81(3)72-66-60-54-48-42-37-34-41-47-53-59-65-71-77-87(108-5)82(4)73-67-61-55-49-43-36-32-23-21-19-17-15-13-11-9-7-2/h81-95,97-106H,6-80H2,1-5H3/t81?,82?,83?,84?,85?,86-,87?,88-,89-,90-,91-,92+,93+,94-,95-,97-,98-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph