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CHEBI:69467 - (2S,3S)-pterosin C

ChEBI IDCHEBI:69467
ChEBI Name(2S,3S)-pterosin C
Stars
DefinitionA natural product found in Acrostichum aureum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESCc1cc2c(c(C)c1CCO)C(=O)[C@@H](C)[C@@H]2O
InChIInChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3/t9-,13-/m0/s1
InChIKeyQQPCNRKHGFIVLH-ZANVPECISA-N
Species of MetaboliteComponentSourceComments
Acrostichum aureum (ncbitaxon:29594) aerial part (BTO:0001658) PubMed (21899268) Methanolic extract of dried and pulverized aerial parts
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)
(2S,3S)-pterosin C (CHEBI:69467) has role metabolite (CHEBI:25212)
(2S,3S)-pterosin C (CHEBI:69467) is a indanones (CHEBI:24789)
Synonym  Source
(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-oneChEBI
Registry NumbersSources
CAS:35938-43-3ChemIDplus
Citations