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CHEBI:182064 - Antibiotic 170t

ChEBI IDCHEBI:182064
ChEBI NameAntibiotic 170t
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H68O12
Net Charge0
Average Mass764.994
Monoisotopic Mass764.47108
SMILES[H][C@@]12CC[C@@]([H])(O1)[C@@H](C)C(=O)O[C@H](CC)C[C@@]1([H])CC[C@]([H])(O1)[C@H](C)C(=O)O[C@@H](C)C[C@]1([H])CC[C@@]([H])(O1)[C@@H](C)C(=O)O[C@H](CC)C[C@@]1([H])CC[C@]([H])(O1)[C@H](C)C(=O)O[C@@H](C)C2
InChIInChI=1S/C42H68O12/c1-9-29-21-33-13-17-35(51-33)25(5)39(43)47-24(4)20-32-12-16-38(50-32)28(8)42(46)54-30(10-2)22-34-14-18-36(52-34)26(6)40(44)48-23(3)19-31-11-15-37(49-31)27(7)41(45)53-29/h23-38H,9-22H2,1-8H3/t23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1
InChIKeyZBDGIMZKOJALMU-HXUSMMTHSA-N
ChEBI Ontology
Outgoing Relation(s)
Antibiotic 170t (CHEBI:182064) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,2R,5R,7R,10S,11S,14S,16S,19R,20R,23R,25R,28S,29S,32S,34S)-5,23-diethyl-2,11,14,20,29,32-hexamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Manual XrefsDatabases
217120ChemSpider
Registry NumbersSources
CAS:20261-85-2ChemIDplus