4′-epi-N-2-hydroxyethyl-azachaetoviridin A (CHEBI:203245)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:203245 - 4′-epi-N-2-hydroxyethyl-azachaetoviridin A

Take structure to advanced search

ChEBI ID	CHEBI:203245
ChEBI Name	4′-epi-N-2-hydroxyethyl-azachaetoviridin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H30ClNO6
Net Charge	0
Average Mass	475.969
Monoisotopic Mass	475.17617
SMILES	CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CN1CCO
InChI	InChI=1S/C25H30ClNO6/c1-6-13(2)7-8-16-11-17-18(12-27(16)9-10-28)20-19(22(30)14(3)15(4)29)24(32)33-25(20,5)23(31)21(17)26/h7-8,11-15,28-29H,6,9-10H2,1-5H3/b8-7+/t13-,14+,15+,25-/m0/s1
InChIKey	CZNRWTXPKFAZAT-SUBMGMGCSA-N

Species of Metabolite	Component	Source	Comments
Chaetomium (ncbitaxon:5149)	-	DOI (10.1016/j.tetlet.2012.11.084)

ChEBI Ontology

Outgoing Relation(s)
	4′-epi-N-2-hydroxyethyl-azachaetoviridin A (CHEBI:203245) is a isoquinolines (CHEBI:24922)

IUPAC Name
(6aS)-5-chloro-2-(2-hydroxyethyl)-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione

Manual Xrefs	Databases
30815717	ChemSpider