Aspeverin (CHEBI:207909)

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CHEBI:207909 - Aspeverin

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ChEBI ID	CHEBI:207909
ChEBI Name	Aspeverin
Stars
Last Modified	28 February 2024
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H24N4O2
Net Charge	0
Average Mass	376.460
Monoisotopic Mass	376.18993
SMILES	CC1(C)C2=Nc3ccccc3[C@]23C[C@]2(NC(=O)O3)[C@H](C#N)N3CCC[C@H]3C[C@@H]12
InChI	InChI=1S/C22H24N4O2/c1-20(2)16-10-13-6-5-9-26(13)17(11-23)21(16)12-22(28-19(27)25-21)14-7-3-4-8-15(14)24-18(20)22/h3-4,7-8,13,16-17H,5-6,9-10,12H2,1-2H3,(H,25,27)/t13-,16-,17-,21+,22+/m0/s1
InChIKey	MJAHQBSZAYUSFL-MKGFCTCPSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (23650962)

ChEBI Ontology

Outgoing Relation(s)
	Aspeverin (CHEBI:207909) is a organic heterohexacyclic compound (CHEBI:51914)

IUPAC Name
(1R,11S,13S,18R,19R)-10,10-dimethyl-21-oxo-22-oxa-8,17,20-triazahexacyclo[17.3.1.01,9.02,7.011,19.013,17]tricosa-2,4,6,8-tetraene-18-carbonitrile

Manual Xrefs	Databases
29355797	ChemSpider