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CHEBI:67391 - pterolinus I

Default Structure
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:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
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