EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223617 - Trichodermanone D

ChEBI IDCHEBI:223617
ChEBI NameTrichodermanone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O7
Net Charge0
Average Mass360.362
Monoisotopic Mass360.12090
SMILESC/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1OC(=O)C(O)=C[C@@H]12
InChIInChI=1S/C19H20O7/c1-4-5-6-7-10(20)12-13-14-9(8-11(21)16(23)26-14)18(2,15(12)22)17(24)19(13,3)25/h4-9,13-14,20-21,25H,1-3H3/b5-4+,7-6+,12-10-/t9-,13+,14+,18+,19-/m0/s1
InChIKeyRXZIDRPXKQRKIK-MJWFBVDGSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies (ncbitaxon:1715253) - DOI (10.1002/ejoc.200601092)
ChEBI Ontology
Outgoing Relation(s)
Trichodermanone D (CHEBI:223617) is a pyranone (CHEBI:37963)
IUPAC Name 
(1R,2R,7R,8R,10S,11Z)-5,10-dihydroxy-11-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-8,10-dimethyl-3-oxatricyclo[6.2.2.02,7]dodec-5-ene-4,9,12-trione
Manual XrefsDatabases
17625275ChemSpider