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CHEBI:209541 - Phomophyllin E

ChEBI IDCHEBI:209541
ChEBI NamePhomophyllin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESCC1=C2[C@H](O)C[C@]2(C)[C@H]2C[C@@](C)(CO)C=C2C1=O
InChIInChI=1S/C15H20O3/c1-8-12-11(17)6-15(12,3)10-5-14(2,7-16)4-9(10)13(8)18/h4,10-11,16-17H,5-7H2,1-3H3/t10-,11+,14-,15+/m0/s1
InChIKeyQLVJIBPBOYHQMU-IDTSFGKNSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (29771527)
ChEBI Ontology
Outgoing Relation(s)
Phomophyllin E (CHEBI:209541) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,6R,7aR,7bR)-2-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,7,7a-tetrahydrocyclobuta[e]inden-4-one
Manual XrefsDatabases
78439078ChemSpider