EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222583 - Peneciraistin F

ChEBI IDCHEBI:222583
ChEBI NamePeneciraistin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17NO4
Net Charge0
Average Mass299.326
Monoisotopic Mass299.11576
SMILESCOc1ccc([C@@]2(C(=O)O)c3ccccc3N[C@@H]2OC)cc1
InChIInChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(16(19)20)13-5-3-4-6-14(13)18-15(17)22-2/h3-10,15,18H,1-2H3,(H,19,20)/t15-,17-/m1/s1
InChIKeyONRNIIUHIVOZHT-NVXWUHKLSA-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 F (CHEBI:222583) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
Manual XrefsDatabases
29214570ChemSpider