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CHEBI:199584 - Pestaloporonin B

ChEBI IDCHEBI:199584
ChEBI NamePestaloporonin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O4
Net Charge0
Average Mass268.353
Monoisotopic Mass268.16746
SMILESCC1(C)C[C@@H]2C(CO)=C[C@@H]3O[C@@]21[C@@H](O)C[C@]3(C)CO
InChIInChI=1S/C15H24O4/c1-13(2)5-10-9(7-16)4-12-14(3,8-17)6-11(18)15(10,13)19-12/h4,10-12,16-18H,5-8H2,1-3H3/t10-,11+,12+,14-,15-/m1/s1
InChIKeyGNUIPQNBCVNGEM-CYHVGBIXSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (26287562)
ChEBI Ontology
Outgoing Relation(s)
Pestaloporonin B (CHEBI:199584) is a pyrans (CHEBI:26407)
IUPAC Name 
(1S,4R,7S,8R,10S)-5,8-bis(hydroxymethyl)-2,2,8-trimethyl-11-oxatricyclo[5.3.1.01,4]undec-5-en-10-ol