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CHEBI:70503 - 4,6-secoangustilobinal A

ChEBI IDCHEBI:70503
ChEBI Name4,6-secoangustilobinal A
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22N2O4
Net Charge0
Average Mass354.406
Monoisotopic Mass354.15796
SMILES[H][C@]12CCNC[C@@]1(C=C)OC[C@@]2(C(=O)OC)c1nc2ccccc2c1C=O
InChIInChI=1S/C20H22N2O4/c1-3-19-11-21-9-8-16(19)20(12-26-19,18(24)25-2)17-14(10-23)13-6-4-5-7-15(13)22-17/h3-7,10,16,21-22H,1,8-9,11-12H2,2H3/t16-,19+,20-/m0/s1
InChIKeyNYHDCCXVPFWHFN-DBVUQKKJSA-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)
4,6-secoangustilobinal A (CHEBI:70503) has functional parent δ-amino acid (CHEBI:35931)
4,6-secoangustilobinal A (CHEBI:70503) has role metabolite (CHEBI:25212)
4,6-secoangustilobinal A (CHEBI:70503) is a organonitrogen compound (CHEBI:35352)
4,6-secoangustilobinal A (CHEBI:70503) is a organooxygen compound (CHEBI:36963)
Citations