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CHEBI:70502 - nor-6,7-secoangustilobine A, (rel)-

ChEBI IDCHEBI:70502
ChEBI Namenor-6,7-secoangustilobine A, (rel)-
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H22N2O3
Net Charge0
Average Mass326.396
Monoisotopic Mass326.16304
SMILES[H][C@]12CCNC[C@@]1(C=C)OC[C@@]2(C(=O)OC)c1cc2ccccc2n1
InChIInChI=1S/C19H22N2O3/c1-3-18-11-20-9-8-15(18)19(12-24-18,17(22)23-2)16-10-13-6-4-5-7-14(13)21-16/h3-7,10,15,20-21H,1,8-9,11-12H2,2H3/t15-,18+,19-/m0/s1
InChIKeyKZLFAYYOKRWYDO-IPELMVKDSA-N
Species of MetaboliteComponentSourceComments
Alstonia spatulata (IPNI:76595-1) leaf (BTO:0000713) PubMed (21043460) Extraction of leaves with concentrated EtOH with dilute acids
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)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) has functional parent δ-amino acid (CHEBI:35931)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) has role metabolite (CHEBI:25212)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) is a organonitrogen compound (CHEBI:35352)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) is a organooxygen compound (CHEBI:36963)
Synonym  Source
rel-methyl(3S,3aR,7aS)-7a-ethenyl-3-(1H-indol-2-yl)-2,3a,4,5,6,7-hexahydrofuro[2,3-c]pyridine-3-carboxylateChEBI
Citations