CHEBI:70502 - nor-6,7-secoangustilobine A, (rel)-

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ChEBI Name nor-6,7-secoangustilobine A, (rel)-
ChEBI ID CHEBI:70502
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 C19H22N2O3
Net Charge 0
Average Mass 326.38960
Monoisotopic Mass 326.16304
InChI InChI=1S/C19H22N2O3/c1-3-18-11-20-9-8-15(18)19(12-24-18,17(22)23-2)16-10-13-6-4-5-7-14(13)21-16/h3-7,10,15,20-21H,1,8-9,11-12H2,2H3/t15-,18+,19-/m0/s1
InChIKey KZLFAYYOKRWYDO-IPELMVKDSA-N
SMILES [H][C@]12CCNC[C@]1(OC[C@@]2(C(=O)OC)c1cc2ccccc2[nH]1)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 nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) has functional parent δ-amino acid (CHEBI:35931)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) has role metabolite (CHEBI:25212)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) is a organonitrogen compound (CHEBI:35352)
nor-6,7-secoangustilobine A, (rel)- (CHEBI:70502) is a organooxygen compound (CHEBI:36963)
Synonym Source
rel-methyl(3S,3aR,7aS)-7a-ethenyl-3-(1H-indol-2-yl)-2,3a,4,5,6,7-hexahydrofuro[2,3-c]pyridine-3-carboxylate ChEBI
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:pyrroles(CHEBI:26455); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:piperidines(CHEBI:26151); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:secondary amino compound(CHEBI:50995); ISA:carbonyl compound(CHEBI:36586);