EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207325 - Calphostin A

ChEBI IDCHEBI:207325
ChEBI NameCalphostin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H38O12
Net Charge0
Average Mass758.776
Monoisotopic Mass758.23633
SMILESCOc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(CC(C)OC(=O)c6ccccc6)c(c(c1CC(C)OC(=O)c1ccccc1)c23)c54
InChIInChI=1S/C44H38O12/c1-21(55-43(49)23-13-9-7-10-14-23)17-25-31-32-26(18-22(2)56-44(50)24-15-11-8-12-16-24)42(54-6)40(48)34-28(46)20-30(52-4)36(38(32)34)35-29(51-3)19-27(45)33(37(31)35)39(47)41(25)53-5/h7-16,19-22,47-48H,17-18H2,1-6H3
InChIKeyVUBUMFQDTQGEKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - PubMed (2478514)
ChEBI Ontology
Outgoing Relation(s)
Calphostin A (CHEBI:207325) is a naphthalenone (CHEBI:25479)
IUPAC Name 
1-[12-(2-benzoyloxypropyl)-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl benzoate
Manual XrefsDatabases
114415ChemSpider