EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223573 - Nodulisporin E

ChEBI IDCHEBI:223573
ChEBI NameNodulisporin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O4
Net Charge0
Average Mass336.387
Monoisotopic Mass336.13616
SMILESCOc1cccc2ccc([C@@H]3C[C@@H](C)Oc4cccc(O)c43)c(O)c12
InChIInChI=1S/C21H20O4/c1-12-11-15(20-16(22)6-4-8-18(20)25-12)14-10-9-13-5-3-7-17(24-2)19(13)21(14)23/h3-10,12,15,22-23H,11H2,1-2H3/t12-,15+/m1/s1
InChIKeyAMBHNTRZMVWXPD-DOMZBBRYSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - DOI (10.1002/ejoc.200801106)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporin E (CHEBI:223573) is a naphthols (CHEBI:25392)
IUPAC Name 
(2R,4S)-4-(1-hydroxy-8-methoxynaphthalen-2-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol
Manual XrefsDatabases
78438265ChemSpider