CHEBI:70503 - 4,6-secoangustilobinal A

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ChEBI Name 4,6-secoangustilobinal A
ChEBI ID CHEBI:70503
Definition A natural product found in Alstonia spatulata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22N2O4
Net Charge 0
Average Mass 354.39970
Monoisotopic Mass 354.15796
InChI InChI=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
InChIKey NYHDCCXVPFWHFN-DBVUQKKJSA-N
SMILES [H][C@]12CCNC[C@]1(OC[C@@]2(C(=O)OC)c1[nH]c2ccccc2c1C=O)C=C
Metabolite of Species Details
Alstonia sp.tulata (IPNI:76595-1) Found in leaf (BTO:0000713). Extraction of leaves with concentrated EtOH with dilute acids See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21043460 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:arenecarbaldehyde(CHEBI:33855); ISA:piperidines(CHEBI:26151); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:pyrroles(CHEBI:26455); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enamine(CHEBI:47989); ISA:oxolanes(CHEBI:26912); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:secondary amino compound(CHEBI:50995); ISA:monocarboxylic acid(CHEBI:25384);