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CHEBI:80107 - CE-108

ChEBI IDCHEBI:80107
ChEBI NameCE-108
Stars
DownloadsMolfile
FormulaC37H57NO14
Net Charge0
Average Mass739.856
Monoisotopic Mass739.37791
SMILES[H][C@@]1(O[C@H]2/C=C/C=C/C=C/C=C/C[C@@H](C)OC(=O)[C@@H](CC)[C@H](O)CC(=O)CCC[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@]([H])(C2)O3)O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
InChIInChI=1S/C37H57NO14/c1-4-26-27(41)17-23(39)14-12-15-24(40)19-37(48)20-28(42)30(34(45)46)29(52-37)18-25(51-36-33(44)31(38)32(43)22(3)50-36)16-11-9-7-5-6-8-10-13-21(2)49-35(26)47/h5-11,16,21-22,24-33,36,40-44,48H,4,12-15,17-20,38H2,1-3H3,(H,45,46)/b6-5+,9-7+,10-8+,16-11+/t21-,22-,24+,25+,26+,27-,28+,29+,30-,31+,32-,33+,36+,37-/m1/s1
InChIKeyWENZSKRHIWIHNO-GWEXXVLASA-N
ChEBI Ontology
Outgoing Relation(s)
CE-108 (CHEBI:80107) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
C15822KEGG COMPOUND