EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225509 - Notoamide R

ChEBI IDCHEBI:225509
ChEBI NameNotoamide R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESCC1(C)C=Cc2c(ccc3c4c(nc23)C(C)(C)[C@@H]2C[C@]35CCCN3C(=O)[C@]2(NC5=O)[C@H]4O)O1
InChIInChI=1S/C26H29N3O4/c1-23(2)10-8-13-15(33-23)7-6-14-17-19(27-18(13)14)24(3,4)16-12-25-9-5-11-29(25)22(32)26(16,20(17)30)28-21(25)31/h6-8,10,16,20,27,30H,5,9,11-12H2,1-4H3,(H,28,31)/t16-,20-,25-,26+/m0/s1
InChIKeyBKNDRWLBSMZASB-MRNHWPAESA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (20795742)
ChEBI Ontology
Outgoing Relation(s)
Notoamide R (CHEBI:225509) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1R,2S,17S,19S)-2-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaene-24,26-dione
Manual XrefsDatabases
27025039ChemSpider