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CHEBI:209978 - Tenebrathin

ChEBI IDCHEBI:209978
ChEBI NameTenebrathin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO6
Net Charge0
Average Mass399.443
Monoisotopic Mass399.16819
SMILESCOc1cc(=O)c(CCC[C@@]2(C)O[C@@H]2/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)o1
InChIInChI=1S/C22H25NO6/c1-14(12-16-7-9-17(10-8-16)23(25)26)21-22(3,29-21)11-5-6-18-15(2)28-20(27-4)13-19(18)24/h7-10,12-13,21H,5-6,11H2,1-4H3/b14-12+/t21-,22-/m1/s1
InChIKeyLMAVOYQMKQSSDQ-CUHRTYRFSA-N
Species of MetaboliteComponentSourceComments
Streptoalloteichus (ncbitaxon:2016) - PubMed (31386371)
ChEBI Ontology
Outgoing Relation(s)
Tenebrathin (CHEBI:209978) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
6-methoxy-2-methyl-3-[3-[(2R,3R)-2-methyl-3-[(E)-1-(4-nitrophenyl)prop-1-en-2-yl]oxiran-2-yl]propyl]pyran-4-one