EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212079 - Phenalenone derivative

ChEBI IDCHEBI:212079
ChEBI NamePhenalenone derivative
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H33NO10
Net Charge0
Average Mass663.679
Monoisotopic Mass663.21045
SMILESCc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(=O)C(=NC1=C(O)c3c(O)cc(C)c4c5c(c(O)c(c34)C1=O)C(C)(C)[C@@H](C)O5)C2=O
InChIInChI=1S/C38H33NO10/c1-11-9-15(40)19-21-17(11)35-25(37(5,6)13(3)48-35)29(42)23(21)33(46)27(31(19)44)39-28-32(45)20-16(41)10-12(2)18-22(20)24(34(28)47)30(43)26-36(18)49-14(4)38(26,7)8/h9-10,13-14,40-44H,1-8H3/t13-,14-/m1/s1
InChIKeyZPCCYCCUZATFOS-ZIAGYGMSSA-N
Species of MetaboliteComponentSourceComments
Penicillium herquei (ncbitaxon:69774) - DOI (10.1021/np50084a019)
ChEBI Ontology
Outgoing Relation(s)
Phenalenone derivative (CHEBI:212079) is a ortho- and peri-fused tricyclic hydrocarbon (CHEBI:51120)
IUPAC Name 
(9R)-3,7-dihydroxy-1,8,8,9-tetramethyl-5-[[(9R)-3,4,7-trihydroxy-1,8,8,9-tetramethyl-6-oxo-9H-phenaleno[1,2-b]uran-5-yl]imino]-9H-phenaleno[1,2-b]uran-4,6-dione