EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202630 - Cyclobotryoxide

ChEBI IDCHEBI:202630
ChEBI NameCyclobotryoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESCOC1=C(C)[C@@H](O)[C@@H]2O[C@@H]2C1=O
InChIInChI=1S/C8H10O4/c1-3-4(9)7-8(12-7)5(10)6(3)11-2/h4,7-9H,1-2H3/t4-,7+,8-/m1/s1
InChIKeySVONJANWQJOAHA-BTZDVCGTSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum (ncbitaxon:407951) - PubMed (23046443)
ChEBI Ontology
Outgoing Relation(s)
Cyclobotryoxide (CHEBI:202630) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,5R,6S)-5-hydroxy-3-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
61432446ChemSpider