EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210568 - Peneciraistin E

ChEBI IDCHEBI:210568
ChEBI NamePeneciraistin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H15NO4
Net Charge0
Average Mass285.299
Monoisotopic Mass285.10011
SMILESCOc1ccc([C@@]2(C(=O)O)c3ccccc3N[C@@H]2O)cc1
InChIInChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(15(19)20)12-4-2-3-5-13(12)17-14(16)18/h2-9,14,17-18H,1H3,(H,19,20)/t14-,16-/m1/s1
InChIKeyMWMRIXJFSUUFML-GDBMZVCRSA-N
Species of MetaboliteComponentSourceComments
Penicillium raistrickii (ncbitaxon:69783) - DOI (10.1016/j.tet.2012.01.054)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Peneciraistin E (CHEBI:210568) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R,3R)-2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
Manual XrefsDatabases
29214569ChemSpider