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CHEBI:226067 - 4′,5′-dinor-5′-deoxy-N-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin A

Default Structure
ChEBI IDCHEBI:226067
ChEBI Name4′,5′-dinor-5′-deoxy-N-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38ClNO4
Net Charge0
Average Mass524.101
Monoisotopic Mass523.24894
SMILESCCC(=O)C1=C2C3=CN(C/C=C(\C)CCC=C(C)C)C(/C=C/[C@@H](C)CC)=CC3=C(Cl)C(=O)[C@@]2(C)OC1=O
InChIInChI=1S/C31H38ClNO4/c1-8-20(5)13-14-22-17-23-24(18-33(22)16-15-21(6)12-10-11-19(3)4)27-26(25(34)9-2)30(36)37-31(27,7)29(35)28(23)32/h11,13-15,17-18,20H,8-10,12,16H2,1-7H3/b14-13+,21-15+/t20-,31-/m0/s1
InChIKeyFLQFBHUUOUCLOG-ZRKNWJKOSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (32193933)
ChEBI Ontology
Outgoing Relation(s)
4′,5′-dinor-5′-deoxy-N-(3,7-dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin A (CHEBI:226067) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(6aS)-5-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-9-propanoyluro[2,3-h]isoquinoline-6,8-dione
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