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CHEBI:211633 - Penicilquei D

ChEBI IDCHEBI:211633
ChEBI NamePenicilquei D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO5
Net Charge0
Average Mass361.438
Monoisotopic Mass361.18892
SMILESC/C=C\C(=C\[C@H](/C=C/[C@@H](C)O)c1cc(NC(C)=O)c(OC)cc1O)CO
InChIInChI=1S/C20H27NO5/c1-5-6-15(12-22)9-16(8-7-13(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)/b6-5-,8-7+,15-9-/t13-,16+/m1/s1
InChIKeyJSTRQEVJCFDTEN-SSKHTBMUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31669962)
ChEBI Ontology
Outgoing Relation(s)
Penicilquei D (CHEBI:211633) is a methoxybenzenes (CHEBI:51683)
Penicilquei D (CHEBI:211633) is a phenols (CHEBI:33853)
IUPAC Name 
N-[4-hydroxy-5-[(2R,3E,5S,6Z,8Z)-2-hydroxy-7-(hydroxymethyl)deca-3,6,8-trien-5-yl]-2-methoxyphenyl]acetamide
Manual XrefsDatabases
79715302ChemSpider