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CHEBI:223384 - Phenylpyropene F

ChEBI IDCHEBI:223384
ChEBI NamePhenylpyropene F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O6
Net Charge0
Average Mass466.574
Monoisotopic Mass466.23554
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5ccccc5)oc4=O)O[C@]3(C)CC[C@H]2C1(C)C
InChIInChI=1S/C28H34O6/c1-16(29)32-21-12-13-27(4)20(26(21,2)3)11-14-28(5)24(27)23(30)22-19(34-28)15-18(33-25(22)31)17-9-7-6-8-10-17/h6-10,15,20-21,23-24,30H,11-14H2,1-5H3/t20-,21-,23-,24+,27-,28+/m0/s1
InChIKeyAVKUBALSSZDALG-RTDMTKDJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26058567)
ChEBI Ontology
Outgoing Relation(s)
Phenylpyropene F (CHEBI:223384) is a organic heterotricyclic compound (CHEBI:26979)
Phenylpyropene F (CHEBI:223384) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,5S,7R,10R,18R)-18-hydroxy-2,6,6,10-tetramethyl-16-oxo-14-phenyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate
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44210861ChemSpider