CHEBI:31846 - Midecamycin acetate

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ChEBI Name Midecamycin acetate ChEBI ID CHEBI:31846 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C45H71NO17 C45H71NO17 Net Charge 0 Average Mass 898.043 Monoisotopic Mass 897.47220 InChI InChI=1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41?,42+,43+,44+,45-/m1/s1 InChIKey GQNZGCARKRHPOH-GSSUJARLSA-N SMILES O(C1[C@@H](OC)[C@](OC(CC)=O)(CC(=O)O[C@H](C)CC=CC=C[C@@H]([C@@H](C[C@@H]1CC=O)C)OC(C)=O)[H])[C@]2([C@H](O)[C@@H](N(C)C)[C@@H]([C@H](O2)C)O[C@]3(C[C@](OC(C)=O)(C)[C@H]([C@@H](O3)C)OC(CC)=O)[H])[H] ChEBI Ontology Outgoing Midecamycin acetate (CHEBI:31846) is a organic molecular entity (CHEBI:50860) Synonyms Sources acecamycin DrugCentral midecamycin acetate DrugCentral Midecamycin acetate KEGG COMPOUND miokamycin DrugCentral ponsinomycin DrugCentral Manual Xrefs Databases 1815 DrugCentral D01636 KEGG DRUG View more database links Registry Number Type Source 55881-07-7 CAS Registry Number KEGG COMPOUND Last Modified 22 February 2017