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CHEBI:227434 - Emericellolide C

ChEBI IDCHEBI:227434
ChEBI NameEmericellolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO9
Net Charge0
Average Mass545.629
Monoisotopic Mass545.26248
SMILESCOC(=O)CC[C@H]1C(=O)O[C@@H](C(C)(C)O)CCC(C)=CCCC(C)=CCOc2c(O)cc3c(c2O)CN1C3=O
InChIInChI=1S/C29H39NO9/c1-17-7-6-8-18(2)13-14-38-26-22(31)15-19-20(25(26)33)16-30(27(19)34)21(10-12-24(32)37-5)28(35)39-23(11-9-17)29(3,4)36/h7,13,15,21,23,31,33,36H,6,8-12,14,16H2,1-5H3/t21-,23+/m0/s1
InChIKeyAVDHOMFBJHZAHN-JTHBVZDNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27588428)
ChEBI Ontology
Outgoing Relation(s)
Emericellolide C (CHEBI:227434) is a lactam (CHEBI:24995)
Emericellolide C (CHEBI:227434) is a macrolide (CHEBI:25106)
IUPAC Name 
methyl 3-[(4S,7R)-19,22-dihydroxy-7-(2-hydroxypropan-2-yl)-10,14-dimethyl-5,23-dioxo-6,17-dioxa-3-azatricyclo[16.3.1.13,21]tricosa-1(22),10,14,18,20-pentaen-4-yl]propanoate