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CHEBI:70501 - N(4)-demethyl-12-methoxyalstogustine

ChEBI IDCHEBI:70501
ChEBI NameN(4)-demethyl-12-methoxyalstogustine
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H26N2O4
Net Charge0
Average Mass370.449
Monoisotopic Mass370.18926
SMILES[H][C@@]12C[C@]3([H])N(CC[C@]34C(=C1C(=O)OC)Nc1c(OC)cccc14)C[C@]2([H])[C@@H](C)O
InChIInChI=1S/C21H26N2O4/c1-11(24)13-10-23-8-7-21-14-5-4-6-15(26-2)18(14)22-19(21)17(20(25)27-3)12(13)9-16(21)23/h4-6,11-13,16,22,24H,7-10H2,1-3H3/t11-,12+,13-,16+,21-/m1/s1
InChIKeyFNDWOLJMJUSGOB-DJBVCAICSA-N
Species of MetaboliteComponentSourceComments
Alstonia spatulata (IPNI:76595-1)
leaf (BTO:0000713) PubMed (21043460) Extraction of leaves and stembark with concentrated EtOH with dilute acids
stem (BTO:0001300) PubMed (21043460) Previous component: stem bark; Extraction of leaves and stembark 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)
N(4)-demethyl-12-methoxyalstogustine (CHEBI:70501) has role metabolite (CHEBI:25212)
N(4)-demethyl-12-methoxyalstogustine (CHEBI:70501) is a alkaloid (CHEBI:22315)
Synonym  Source
Methyl (19R,20alpha)-19-hydroxy-12-methoxy-2,16-didehydrocuran-17-oateChEBI
Citations