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CHEBI:67391 - pterolinus I

ChEBI IDCHEBI:67391
ChEBI Namepterolinus I
Stars
DefinitionAn organic heterotricyclic compound found in Pterocarpus santalinus.
Last Modified7 February 2018
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESC=C[C@H]1c2cc(O)c(OC)cc2[C@@]2(O)C[C@]1(OC)C(OC)=CC2=O
InChIInChI=1S/C18H20O6/c1-5-11-10-6-13(19)14(22-2)7-12(10)17(21)9-18(11,24-4)16(23-3)8-15(17)20/h5-8,11,19,21H,1,9H2,2-4H3/t11-,17-,18+/m0/s1
InChIKeyUVODXVDWVWOACM-FJNPEDAXSA-N
Species of MetaboliteComponentSourceComments
Pterocarpus santalinus (ncbitaxon:1071199) heartwood (PO:0004512) PubMed (21488654) Dichloromethane soluble portion of MeOH extract of powdered heartwood
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pterolinus I (CHEBI:67391) has role metabolite (CHEBI:25212)
pterolinus I (CHEBI:67391) has role plant metabolite (CHEBI:76924)
pterolinus I (CHEBI:67391) is a aromatic ether (CHEBI:35618)
pterolinus I (CHEBI:67391) is a cyclic ketone (CHEBI:3992)
pterolinus I (CHEBI:67391) is a organic heterotricyclic compound (CHEBI:26979)
pterolinus I (CHEBI:67391) is a phenols (CHEBI:33853)
pterolinus I (CHEBI:67391) is a tertiary alcohol (CHEBI:26878)
pterolinus I (CHEBI:67391) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name 
rel-(5S,9R,10S)-2,5-dihydroxy-3,8,9-trimethoxy-10-vinyl-9,10-dihydro-5,9-methanobenzo[8]annulen-6(5H)-one
Registry NumbersSources
Reaxys:21548613Reaxys
Citations