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CHEBI:224485 - Emericellolide B

ChEBI IDCHEBI:224485
ChEBI NameEmericellolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO9
Net Charge0
Average Mass559.656
Monoisotopic Mass559.27813
SMILESCOC(=O)CC[C@H]1C(=O)O[C@@H](C(C)(C)O)CCC(C)=CCCC(C)=CCOc2c(OC)cc3c(c2O)CN1C3=O
InChIInChI=1S/C30H41NO9/c1-18-8-7-9-19(2)14-15-39-27-23(37-5)16-20-21(26(27)33)17-31(28(20)34)22(11-13-25(32)38-6)29(35)40-24(12-10-18)30(3,4)36/h8,14,16,22,24,33,36H,7,9-13,15,17H2,1-6H3/t22-,24+/m0/s1
InChIKeyLDZGZEKGHAEAHM-LADGPHEKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27588428)
ChEBI Ontology
Outgoing Relation(s)
Emericellolide B (CHEBI:224485) is a lactam (CHEBI:24995)
Emericellolide B (CHEBI:224485) is a macrolide (CHEBI:25106)
IUPAC Name 
methyl 3-[(4S,7R)-22-hydroxy-7-(2-hydroxypropan-2-yl)-19-methoxy-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