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CHEBI:227512 - Melearoride B

ChEBI IDCHEBI:227512
ChEBI NameMelearoride B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H49NO7
Net Charge0
Average Mass535.722
Monoisotopic Mass535.35090
SMILESCCC[C@H](O)C[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCC(O)C(C)(C)O)cc2)C(=O)O1
InChIInChI=1S/C30H49NO7/c1-6-9-23(32)19-25-15-12-21(2)10-7-8-11-28(34)31(5)26(29(35)38-25)18-22-13-16-24(17-14-22)37-20-27(33)30(3,4)36/h13-14,16-17,21,23,25-27,32-33,36H,6-12,15,18-20H2,1-5H3/t21-,23+,25+,26+,27?/m1/s1
InChIKeyNQXOQGLCLMWMTQ-JNNGLPOXSA-N
Species of MetaboliteComponentSourceComments
Penicillium meleagrinum var. viridiflavum (ncbitaxon:439017) - PubMed (27014845)
ChEBI Ontology
Outgoing Relation(s)
Melearoride B (CHEBI:227512) is a lactam (CHEBI:24995)
Melearoride B (CHEBI:227512) is a macrolide (CHEBI:25106)
IUPAC Name 
(3S,10R,13S)-3-[[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]methyl]-13-[(2S)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione
Manual XrefsDatabases
58196765ChemSpider