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CHEBI:227506 - Melearoride A

ChEBI IDCHEBI:227506
ChEBI NameMelearoride A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H47NO4
Net Charge0
Average Mass485.709
Monoisotopic Mass485.35051
SMILESCCCCC[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCC=C(C)C)cc2)C(=O)O1
InChIInChI=1S/C30H47NO4/c1-6-7-8-12-27-17-14-24(4)11-9-10-13-29(32)31(5)28(30(33)35-27)22-25-15-18-26(19-16-25)34-21-20-23(2)3/h15-16,18-20,24,27-28H,6-14,17,21-22H2,1-5H3/t24-,27-,28+/m1/s1
InChIKeyIJMPIKIOJQQJCA-RTVRTQBESA-N
Species of MetaboliteComponentSourceComments
Penicillium meleagrinum var. viridiflavum (ncbitaxon:439017) - PubMed (27014845)
ChEBI Ontology
Outgoing Relation(s)
Melearoride A (CHEBI:227506) is a lactam (CHEBI:24995)
Melearoride A (CHEBI:227506) is a macrolide (CHEBI:25106)
IUPAC Name 
(3S,10R,13R)-4,10-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione
Manual XrefsDatabases
58196764ChemSpider