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CHEBI:206068 - Pestaloporonin C

ChEBI IDCHEBI:206068
ChEBI NamePestaloporonin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESC=C(C)C[C@H]1C(=O)[C@@H](O)CC(C)=C[C@@H](OC)C=C1CO
InChIInChI=1S/C16H24O4/c1-10(2)5-14-12(9-17)8-13(20-4)6-11(3)7-15(18)16(14)19/h6,8,13-15,17-18H,1,5,7,9H2,2-4H3/t13-,14-,15+/m1/s1
InChIKeyDQOGXWZWFMMBQR-KFWWJZLASA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (26287562)
ChEBI Ontology
Outgoing Relation(s)
Pestaloporonin C (CHEBI:206068) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(2R,5R,9S)-9-hydroxy-3-(hydroxymethyl)-5-methoxy-7-methyl-2-(2-methylprop-2-enyl)cyclonona-3,6-dien-1-one