EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202910 - Trichocitrin

ChEBI IDCHEBI:202910
ChEBI NameTrichocitrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILESC=C(C)[C@@H]1CC[C@]2(C)C[C@@H]3c4c(coc4C[C@H]3C)CC[C@@H]12
InChIInChI=1S/C20H28O/c1-12(2)15-7-8-20(4)10-16-13(3)9-18-19(16)14(11-21-18)5-6-17(15)20/h11,13,15-17H,1,5-10H2,2-4H3/t13-,15+,16+,17+,20-/m1/s1
InChIKeyJNMFJYUTUJNPQB-FHXVVSRQSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (26728965)
ChEBI Ontology
Outgoing Relation(s)
Trichocitrin (CHEBI:202910) is a heteroarene (CHEBI:33833)
IUPAC Name 
(1S,3R,6R,7S,15R)-3,15-dimethyl-6-prop-1-en-2-yl-12-oxatetracyclo[8.5.1.03,7.013,16]hexadeca-10,13(16)-diene
Manual XrefsDatabases
58196953ChemSpider