EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208255 - Asperphenalenone A

ChEBI IDCHEBI:208255
ChEBI NameAsperphenalenone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44O7
Net Charge0
Average Mass576.730
Monoisotopic Mass576.30870
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/CC/C(C)=C/C[C@]1(O)C(=O)c2c(O)cc(C)c3c(O)c(C)c(O)c(c23)C1=O)CO
InChIInChI=1S/C35H44O7/c1-20(2)10-7-14-25(19-36)15-9-13-21(3)11-8-12-22(4)16-17-35(42)33(40)28-26(37)18-23(5)27-29(28)30(34(35)41)32(39)24(6)31(27)38/h10-11,15-16,18,36-39,42H,7-9,12-14,17,19H2,1-6H3/b21-11+,22-16+,25-15-/t35-/m0/s1
InChIKeyCSQKRBFZSGLNBY-KGRLNHTJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29016131)
ChEBI Ontology
Outgoing Relation(s)
Asperphenalenone A (CHEBI:208255) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2S)-2,4,6,9-tetrahydroxy-2-[(2E,6E,10Z)-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-5,7-dimethylphenalene-1,3-dione
Manual XrefsDatabases
78441669ChemSpider