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CHEBI:189974 - Beta-Citraurin epoxide

Default Structure
ChEBI IDCHEBI:189974
ChEBI NameBeta-Citraurin epoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O3
Net Charge0
Average Mass448.647
Monoisotopic Mass448.29775
SMILESCC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/C12OC1(C)CC(O)CC2(C)C
InChIInChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+
InChIKeyTUSQPOXZYYVVMH-STNACPSUSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Beta-Citraurin epoxide (CHEBI:189974) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14Z,16E)-17-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal
Manual XrefsDatabases
35014740ChemSpider
HMDB0039079HMDB