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CHEBI:198345 - Pestaloporonin A

ChEBI IDCHEBI:198345
ChEBI NamePestaloporonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCO[C@@H]1C=C2CO[C@@H]1C(CO)=CCC(C)(C)C(=O)[C@@H](O)C2
InChIInChI=1S/C16H24O5/c1-16(2)5-4-11(8-17)14-13(20-3)7-10(9-21-14)6-12(18)15(16)19/h4,7,12-14,17-18H,5-6,8-9H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyOVMHQWGGGYITNW-BFHYXJOUSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (26287562)
ChEBI Ontology
Outgoing Relation(s)
Pestaloporonin A (CHEBI:198345) is a pyrans (CHEBI:26407)
IUPAC Name 
(3S,9R,13R)-3-hydroxy-8-(hydroxymethyl)-13-methoxy-5,5-dimethyl-10-oxabicyclo[7.2.2]trideca-1(12),7-dien-4-one