EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:70497 - Alstolobine A, (rel)-

ChEBI IDCHEBI:70497
ChEBI NameAlstolobine A, (rel)-
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H26N2O5
Net Charge0
Average Mass398.459
Monoisotopic Mass398.18417
SMILES[H][C@]12CCN(C(=O)OCC)C[C@@]1(C=C)OC[C@@]2(C(=O)OC)c1cc2ccccc2n1
InChIInChI=1S/C22H26N2O5/c1-4-21-13-24(20(26)28-5-2)11-10-17(21)22(14-29-21,19(25)27-3)18-12-15-8-6-7-9-16(15)23-18/h4,6-9,12,17,23H,1,5,10-11,13-14H2,2-3H3/t17-,21+,22-/m0/s1
InChIKeyXMPQHDBGVZIIJS-WTOYTKOKSA-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)
Alstolobine A, (rel)- (CHEBI:70497) has role metabolite (CHEBI:25212)
Alstolobine A, (rel)- (CHEBI:70497) is a indoles (CHEBI:24828)
Citations