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CHEBI:66737 - Pestalotheol C

ChEBI IDCHEBI:66737
ChEBI NamePestalotheol C
Stars
DefinitionA natural product found in Pestalotiopsis theae.
Last Modified22 September 2014
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILES[H][C@@]12O[C@@]13C[C@H](C(C)(C)O)O[C@@]3([H])C/C(=C/C=C(C)C)[C@H]2O
InChIInChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14-,16+/m0/s1
InChIKeyFWSQMPDAXKALDF-MXRRJLFPSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis theae (ncbitaxon:218556) - PubMed (18303847) Plant endophytic fungus
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pestalotheol C (CHEBI:66737) has role metabolite (CHEBI:25212)
Pestalotheol C (CHEBI:66737) is a oxacycle (CHEBI:38104)
Synonym  Source
(1aR,3R,4aS,6Z,7R,7aS)-3-(2-Hydroxy-2-propanyl)-6-(3-methyl-2-buten-1-ylidene)hexahydro-4aH-oxireno[d][1]benzofuran-7-olChEBI
Citations