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CHEBI:226075 - 4′,5′-dinor-5′-deoxy-N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin A

ChEBI IDCHEBI:226075
ChEBI Name4′,5′-dinor-5′-deoxy-N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30ClNO4
Net Charge0
Average Mass455.982
Monoisotopic Mass455.18634
SMILESCCC(=O)C1=C2C3=CN(CC=C(C)C)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C26H30ClNO4/c1-7-16(5)9-10-17-13-18-19(14-28(17)12-11-15(3)4)22-21(20(29)8-2)25(31)32-26(22,6)24(30)23(18)27/h9-11,13-14,16H,7-8,12H2,1-6H3/b10-9+/t16-,26-/m0/s1
InChIKeyIKCRMTNQCGWYEX-JUIWXYGDSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (32193933)
ChEBI Ontology
Outgoing Relation(s)
4′,5′-dinor-5′-deoxy-N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin A (CHEBI:226075) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6aS)-5-chloro-6a-methyl-2-(3-methylbut-2-enyl)-3-[(E,3S)-3-methylpent-1-enyl]-9-propanoyluro[2,3-h]isoquinoline-6,8-dione
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88294775ChemSpider