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CHEBI:212222 - Punctaporonin P

ChEBI IDCHEBI:212222
ChEBI NamePunctaporonin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCO[C@@H]1/C=C(\C)CC(=O)[C@]2(O)[C@H](CC2(C)C)/C(CO)=C\1
InChIInChI=1S/C16H24O4/c1-10-5-12(20-4)7-11(9-17)13-8-15(2,3)16(13,19)14(18)6-10/h5,7,12-13,17,19H,6,8-9H2,1-4H3/b10-5+,11-7-/t12-,13-,16-/m1/s1
InChIKeyIFCLXQSVHJOKSQ-PMMAFBDPSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2016.05.001)
ChEBI Ontology
Outgoing Relation(s)
Punctaporonin P (CHEBI:212222) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,4E,6R,7E,9R)-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,11,11-trimethylbicyclo[7.2.0]undeca-4,7-dien-2-one