EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211242 - Emeriphenolicin F

ChEBI IDCHEBI:211242
ChEBI NameEmeriphenolicin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H63NO8
Net Charge0
Average Mass733.987
Monoisotopic Mass733.45537
SMILESCOC(=O)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)N1Cc2c(cc(O)c(OCC=C(C)CCC=C(C)CCC=C(C)C)c2O)C1=O
InChIInChI=1S/C44H63NO8/c1-30(2)14-10-16-32(5)18-12-20-34(7)24-26-52-40(47)23-22-38(44(50)51-9)45-29-37-36(43(45)49)28-39(46)42(41(37)48)53-27-25-35(8)21-13-19-33(6)17-11-15-31(3)4/h14-15,18-19,24-25,28,38,46,48H,10-13,16-17,20-23,26-27,29H2,1-9H3/t38-/m0/s1
InChIKeyGVRLZOKOTXUSKQ-LHEWISCISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27588428)
ChEBI Ontology
Outgoing Relation(s)
Emeriphenolicin F (CHEBI:211242) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
1-O-methyl 5-O-(3,7,11-trimethyldodeca-2,6,10-trienyl) (2S)-2-[5,7-dihydroxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-1H-isoindol-2-yl]pentanedioate
Manual XrefsDatabases
78437439ChemSpider