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CHEBI:199322 - Chaetopenoid E

ChEBI IDCHEBI:199322
ChEBI NameChaetopenoid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O4
Net Charge0
Average Mass264.321
Monoisotopic Mass264.13616
SMILESC=C(CO)[C@]1(O)C[C@@]2(C)C(=C[C@H]1O)C=CC(=O)[C@@H]2C
InChIInChI=1S/C15H20O4/c1-9(7-16)15(19)8-14(3)10(2)12(17)5-4-11(14)6-13(15)18/h4-6,10,13,16,18-19H,1,7-8H2,2-3H3/t10-,13+,14+,15+/m0/s1
InChIKeyAOISOBCVWQACQW-CJYSPXJISA-N
Species of MetaboliteComponentSourceComments
Chaetoconis (ncbitaxon:565394) - PubMed (26995148)
ChEBI Ontology
Outgoing Relation(s)
Chaetopenoid E (CHEBI:199322) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,6R,7R,8aR)-6,7-dihydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,8a-dimethyl-6,8-dihydro-1H-naphthalen-2-one
Manual XrefsDatabases
78441979ChemSpider