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CHEBI:70495 - (-)-Alstolucine D, (rel)-

ChEBI IDCHEBI:70495
ChEBI Name(-)-Alstolucine D, (rel)-
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified16 March 2015
DownloadsMolfile
FormulaC20H22N2O4
Net Charge0
Average Mass354.406
Monoisotopic Mass354.15796
SMILES[H][C@@]1(C(C)=O)CN2CC[C@]34C(=C(C(=O)OC)[C@@]1([H])C[C@]23[H])Nc1c(O)cccc14
InChIInChI=1S/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15,21,24H,6-9H2,1-2H3/t11-,12-,15-,20+/m0/s1
InChIKeyLNRAHCYSFBURKI-LRDLFRDYSA-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 D, (rel)- (CHEBI:70495) has role metabolite (CHEBI:25212)
(-)-Alstolucine D, (rel)- (CHEBI:70495) is a alkaloid (CHEBI:22315)
(-)-Alstolucine D, (rel)- (CHEBI:70495) is a methyl ester (CHEBI:25248)
(-)-Alstolucine D, (rel)- (CHEBI:70495) is a organic heteropentacyclic compound (CHEBI:38164)
Citations