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CHEBI:69314 - tsangibeilin B, rel-

ChEBI IDCHEBI:69314
ChEBI Nametsangibeilin B, rel-
Stars
DefinitionA natural product found in Beilschmiedia tsangii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H22O4
Net Charge0
Average Mass350.414
Monoisotopic Mass350.15181
SMILES[H][C@@]12[C@@]3([H])[C@@]4([H])C[C@@]1([H])C=C[C@@H](C(=O)O)[C@]2([H])C=C[C@]3([H])[C@H]4Cc1ccc2c(c1)OCO2
InChIInChI=1S/C22H22O4/c23-22(24)15-3-2-12-9-17-16(14-5-4-13(15)20(12)21(14)17)7-11-1-6-18-19(8-11)26-10-25-18/h1-6,8,12-17,20-21H,7,9-10H2,(H,23,24)/t12-,13+,14-,15-,16-,17+,20-,21-/m1/s1
InChIKeyDXINWPCQBUXMER-STJBOKOVSA-N
Species of MetaboliteComponentSourceComments
Beilschmiedia tsangii (IPNI:462970-1) root (BTO:0001188) PubMed (21846089) Cold MeOH extract of dry and sliced roots
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)
tsangibeilin B, rel- (CHEBI:69314) has role metabolite (CHEBI:25212)
tsangibeilin B, rel- (CHEBI:69314) is a benzodioxoles (CHEBI:38298)
Synonym  Source
rel-(1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-1-(1,3-Benzodioxol-5-ylmethyl)-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylene-5-carboxylic acidChEBI
Citations