EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:217862 - Diaporthol A

ChEBI IDCHEBI:217862
ChEBI NameDiaporthol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCc1cc(O)c2c(c1)COC(=O)c1c(ccc3c1OC(C)(C)C=C3)O2
InChIInChI=1S/C20H18O5/c1-11-8-13-10-23-19(22)16-15(24-17(13)14(21)9-11)5-4-12-6-7-20(2,3)25-18(12)16/h4-9,21H,10H2,1-3H3
InChIKeyMZCAUGGKMHNFAK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - DOI (10.1016/j.tetlet.2018.02.032)
ChEBI Ontology
Outgoing Relation(s)
Diaporthol A (CHEBI:217862) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
4-hydroxy-6,15,15-trimethyl-2,10,14-trioxatetracyclo[10.8.0.03,8.013,18]icosa-1(12),3(8),4,6,13(18),16,19-heptaen-11-one
Manual XrefsDatabases
78435287ChemSpider