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CHEBI:181316 - Amatain

ChEBI IDCHEBI:181316
ChEBI NameAmatain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H48N4O6
Net Charge0
Average Mass716.879
Monoisotopic Mass716.35739
SMILESCOC(=O)C1=C2Nc3ccccc3C23CCN2C4OC56C7CC4(CN5c4c(OC)cccc4C64CCN5CCC6OCCC6(C7)C54)C4OCCC4(C1)C23
InChIInChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3
InChIKeyRZBFPDQKWUWUCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
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)
Amatain (CHEBI:181316) is a alkaloid (CHEBI:22315)
IUPAC Name 
methyl 26-methoxy-3,22,38-trioxa-10,20,24,34-tetrazatetradecacyclo[22.20.1.16,17.131,34.01,21.02,6.09,17.011,16.023,31.023,43.025,30.037,41.020,47.041,46]heptatetraconta-8,11,13,15,25(30),26,28-heptaene-8-carboxylate
Manual XrefsDatabases
158330ChemSpider