EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207542 - Sporulosaldein C

ChEBI IDCHEBI:207542
ChEBI NameSporulosaldein C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCOc1c(C)c(O)cc(CC(C)=O)c1C=O
InChIInChI=1S/C12H14O4/c1-7(14)4-9-5-11(15)8(2)12(16-3)10(9)6-13/h5-6,15H,4H2,1-3H3
InChIKeyGRXFZUMIOGAHCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (30780165)
ChEBI Ontology
Outgoing Relation(s)
Sporulosaldein C (CHEBI:207542) is a methoxybenzenes (CHEBI:51683)
Sporulosaldein C (CHEBI:207542) is a phenols (CHEBI:33853)
IUPAC Name 
4-hydroxy-2-methoxy-3-methyl-6-(2-oxopropyl)benzaldehyde