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CHEBI:204530 - Phomactin D

Default Structure
ChEBI IDCHEBI:204530
ChEBI NamePhomactin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2C=O
InChIInChI=1S/C20H30O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,12,14-16,18H,5,7-11H2,1-4H3/b13-6+/t14-,15-,16+,18-,19+,20-/m1/s1
InChIKeyVEIJXOFPJWWIIJ-DCXFOUBQSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1021/jo00082a012)
ChEBI Ontology
Outgoing Relation(s)
Phomactin D (CHEBI:204530) is a ketone (CHEBI:17087)
IUPAC Name 
(1R,3S,5R,8E,12S,13R,16S)-5,9,12,13-tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadec-8-ene-16-carbaldehyde
Manual XrefsDatabases
8194372ChemSpider