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CHEBI:208278 - Asperphenalenone E

ChEBI IDCHEBI:208278
ChEBI NameAsperphenalenone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H46O9
Net Charge0
Average Mass610.744
Monoisotopic Mass610.31418
SMILESC/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)CC/C=C(\CO)CC[C@@H](O)C(C)(C)O
InChIInChI=1S/C35H46O9/c1-19(11-8-12-23(18-36)13-14-25(38)34(5,6)43)9-7-10-20(2)15-16-35(44)32(41)27-24(37)17-21(3)26-28(27)29(33(35)42)31(40)22(4)30(26)39/h9,12,15,17,25,36-40,43-44H,7-8,10-11,13-14,16,18H2,1-6H3/b19-9+,20-15+,23-12-/t25-,35+/m1/s1
InChIKeyYKKQCMZRKKBHMY-KVHDNOMISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29016131)
ChEBI Ontology
Outgoing Relation(s)
Asperphenalenone E (CHEBI:208278) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2S)-2-[(2E,6E,10Z,14R)-14,15-dihydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10-trienyl]-2,4,6,9-tetrahydroxy-5,7-dimethylphenalene-1,3-dione
Manual XrefsDatabases
78441672ChemSpider