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CHEBI:226085 - N-(3,7-Dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin A

ChEBI IDCHEBI:226085
ChEBI NameN-(3,7-Dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42ClNO5
Net Charge0
Average Mass568.154
Monoisotopic Mass567.27515
SMILESCC[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=CN1C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C33H42ClNO5/c1-9-20(4)13-14-24-17-25-26(18-35(24)16-15-21(5)12-10-11-19(2)3)28-27(30(37)22(6)23(7)36)32(39)40-33(28,8)31(38)29(25)34/h11,13-15,17-18,20,22-23,36H,9-10,12,16H2,1-8H3/b14-13+,21-15+/t20-,22+,23+,33-/m0/s1
InChIKeyZXAAVTOOEAWNPF-DLAOAZPNSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (32193933)
ChEBI Ontology
Outgoing Relation(s)
N-(3,7-Dimethyl-2,6-octadienyl)-2-aza-2-deoxychaetoviridin A (CHEBI:226085) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(6aS)-5-chloro-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]uro[2,3-h]isoquinoline-6,8-dione
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