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CHEBI:70492 - (-)-Alstolucine A, (rel)-

ChEBI IDCHEBI:70492
ChEBI Name(-)-Alstolucine A, (rel)-
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified16 March 2015
DownloadsMolfile
FormulaC23H28N2O5
Net Charge0
Average Mass412.486
Monoisotopic Mass412.19982
SMILES[H][C@@]12C[C@]3([H])N(CC[C@]34C(=C1C(=O)OC)Nc1ccccc14)C[C@]2([H])[C@@H](C)OC(=O)OCC
InChIInChI=1S/C23H28N2O5/c1-4-29-22(27)30-13(2)15-12-25-10-9-23-16-7-5-6-8-17(16)24-20(23)19(21(26)28-3)14(15)11-18(23)25/h5-8,13-15,18,24H,4,9-12H2,1-3H3/t13-,14+,15-,18+,23-/m1/s1
InChIKeyBPXHFWZHURFHEN-KBHVJUHDSA-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 Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
(-)-Alstolucine A, (rel)- (CHEBI:70492) has role metabolite (CHEBI:25212)
(-)-Alstolucine A, (rel)- (CHEBI:70492) is a alkaloid (CHEBI:22315)
(-)-Alstolucine A, (rel)- (CHEBI:70492) is a methyl ester (CHEBI:25248)
(-)-Alstolucine A, (rel)- (CHEBI:70492) is a organic heteropentacyclic compound (CHEBI:38164)
Citations