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CHEBI:218626 - Phomactin R

Default Structure
ChEBI IDCHEBI:218626
ChEBI NamePhomactin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESC=C1C2=CC[C@@H](C)[C@]1(C)CC/C(C)=C/CC[C@@]1(C)O[C@@H]1C2=O
InChIInChI=1S/C20H28O2/c1-13-7-6-11-20(5)18(22-20)17(21)16-9-8-14(2)19(4,12-10-13)15(16)3/h7,9,14,18H,3,6,8,10-12H2,1-2,4-5H3/b13-7+/t14-,18-,19+,20-/m1/s1
InChIKeyGPKKQOCGOSXOTO-KSRJUWHJSA-N
Species of MetaboliteComponentSourceComments
Biatriospora (ncbitaxon:679174) - PubMed (30061613)
ChEBI Ontology
Outgoing Relation(s)
Phomactin R (CHEBI:218626) is a ketone (CHEBI:17087)
IUPAC Name 
(3S,5R,8E,12S,13R)-5,9,12,13-tetramethyl-16-methylidene-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one