EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211614 - Penicilquei A

ChEBI IDCHEBI:211614
ChEBI NamePenicilquei A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO5
Net Charge0
Average Mass361.438
Monoisotopic Mass361.18892
SMILESC/C=C\C(=C\C=C\[C@H](c1cc(NC(C)=O)c(OC)cc1O)[C@@H](C)O)CO
InChIInChI=1S/C20H27NO5/c1-5-7-15(12-22)8-6-9-16(13(2)23)17-10-18(21-14(3)24)20(26-4)11-19(17)25/h5-11,13,16,22-23,25H,12H2,1-4H3,(H,21,24)/b7-5-,9-6+,15-8-/t13-,16+/m1/s1
InChIKeyYUAMXQIJNWAZMP-LGSGYBOJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31669962)
ChEBI Ontology
Outgoing Relation(s)
Penicilquei A (CHEBI:211614) is a methoxybenzenes (CHEBI:51683)
Penicilquei A (CHEBI:211614) is a phenols (CHEBI:33853)
IUPAC Name 
N-[4-hydroxy-5-[(2R,3R,4E,6Z,8Z)-2-hydroxy-7-(hydroxymethyl)deca-4,6,8-trien-3-yl]-2-methoxyphenyl]acetamide
Manual XrefsDatabases
79715299ChemSpider