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CHEBI:70510 - 15-hydroxyangustilobine A

ChEBI IDCHEBI:70510
ChEBI Name15-hydroxyangustilobine A
Stars
DefinitionA natural product found in Alstonia spatulata.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H22N2O4
Net Charge0
Average Mass354.406
Monoisotopic Mass354.15796
SMILESC=C[C@@]12CN3CC[C@]1(O)[C@@](C(=O)OC)(CO2)c1nc2ccccc2c1C3
InChIInChI=1S/C20H22N2O4/c1-3-18-11-22-9-8-20(18,24)19(12-26-18,17(23)25-2)16-14(10-22)13-6-4-5-7-15(13)21-16/h3-7,21,24H,1,8-12H2,2H3/t18-,19+,20-/m1/s1
InChIKeyVNWCDGXRGWDKHA-HSALFYBXSA-N
Species of MetaboliteComponentSourceComments
Alstonia spatulata (IPNI:76595-1) stem (BTO:0001300) PubMed (21043460) Previous component: stem bark; Extraction of 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)
15-hydroxyangustilobine A (CHEBI:70510) has role metabolite (CHEBI:25212)
15-hydroxyangustilobine A (CHEBI:70510) is a alkaloid (CHEBI:22315)
Citations