EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209446 - Daldinan C

ChEBI IDCHEBI:209446
ChEBI NameDaldinan C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23NO7
Net Charge0
Average Mass401.415
Monoisotopic Mass401.14745
SMILESCOc1cc(C)cc([C@@H]2c3cc(O)cc(OC)c3C(=O)N2CCCC(=O)O)c1O
InChIInChI=1S/C21H23NO7/c1-11-7-14(20(26)16(8-11)29-3)19-13-9-12(23)10-15(28-2)18(13)21(27)22(19)6-4-5-17(24)25/h7-10,19,23,26H,4-6H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeyLOGFPLSRAOLWIO-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (29715021)
ChEBI Ontology
Outgoing Relation(s)
Daldinan C (CHEBI:209446) is a isoindoles (CHEBI:24897)
IUPAC Name 
4-[6-hydroxy-1-(2-hydroxy-3-methoxy-5-methylphenyl)-4-methoxy-3-oxo-1H-isoindol-2-yl]butanoic acid
Manual XrefsDatabases
78435238ChemSpider