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CHEBI:203760 - Trichodermanone A

ChEBI IDCHEBI:203760
ChEBI NameTrichodermanone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O8
Net Charge0
Average Mass408.447
Monoisotopic Mass408.17842
SMILESC/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@]1(O)CO[C@@](CO)(OC)C[C@H]21
InChIInChI=1S/C21H28O8/c1-5-6-7-8-12(23)14-15-19(3,26)17(25)18(2,16(14)24)13-9-20(10-22,28-4)29-11-21(13,15)27/h5-8,13,15,22-23,26-27H,9-11H2,1-4H3/b6-5+,8-7+,14-12-/t13-,15+,18-,19+,20+,21-/m1/s1
InChIKeyYNIAATPACSDVQQ-WILUIMLGSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies (ncbitaxon:1715253) - DOI (10.1002/ejoc.200601092)
ChEBI Ontology
Outgoing Relation(s)
Trichodermanone A (CHEBI:203760) is a ketal (CHEBI:59777)
IUPAC Name 
(1R,2R,5S,7R,8R,10S,11Z)-2,10-dihydroxy-11-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-5-(hydroxymethyl)-5-methoxy-8,10-dimethyl-4-oxatricyclo[6.2.2.02,7]dodecane-9,12-dione
Manual XrefsDatabases
17625174ChemSpider