EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192900 - 8-Epiisoivangustin

ChEBI IDCHEBI:192900
ChEBI Name8-Epiisoivangustin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C1C(=O)OC2CC3(C)C(O)CC=C(C)C3CC12
InChIInChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h4,10-13,16H,2,5-7H2,1,3H3
InChIKeySGRJYGRCAPBLSW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
8-Epiisoivangustin (CHEBI:192900) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
8-hydroxy-5,8a-dimethyl-3-methylidene-4,4a,7,8,9,9a-hexahydro-3aH-benzo[][1]benzouran-2-one
Manual XrefsDatabases
HMDB0035708HMDB
35014000ChemSpider