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CHEBI:31516 - Doramectin

ChEBI IDCHEBI:31516
ChEBI NameDoramectin
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC50H74O14
Net Charge0
Average Mass899.128
Monoisotopic Mass898.50786
SMILES[H][C@@]12C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4CC(OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@]4([H])[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H](C1)C[C@]1(C=C[C@H](C)[C@@H](C5CCCCC5)O1)O2)[C@]34O
InChIInChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38?,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1
InChIKeyQLFZZSKTJWDQOS-DLZZRMBFSA-N
ChEBI Ontology
Outgoing Relation(s)
Doramectin (CHEBI:31516) is a macrolide (CHEBI:25106)
Synonym  Source
DoramectinKEGG COMPOUND
Manual XrefsDatabases
D01129KEGG DRUG
Registry NumbersSources
CAS:117704-25-3KEGG COMPOUND