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CHEBI:226064 - N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin E

ChEBI IDCHEBI:226064
ChEBI NameN-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32ClNO4
Net Charge0
Average Mass482.020
Monoisotopic Mass481.20199
SMILESC/C=C(\C)C(=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/C28H32ClNO4/c1-8-17(5)10-11-19-14-20-21(15-30(19)13-12-16(3)4)23-22(25(31)18(6)9-2)27(33)34-28(23,7)26(32)24(20)29/h9-12,14-15,17H,8,13H2,1-7H3/b11-10+,18-9+/t17-,28-/m0/s1
InChIKeyVULNUYRPNJJMAM-VYSLBBLTSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (32193933)
ChEBI Ontology
Outgoing Relation(s)
N-(3-methyl-2-butenyl)-2-aza-2-deoxychaetoviridin E (CHEBI:226064) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(6aS)-5-chloro-6a-methyl-9-[(E)-2-methylbut-2-enoyl]-2-(3-methylbut-2-enyl)-3-[(E,3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
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