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CHEBI:187657 - Novaxenicins A

ChEBI IDCHEBI:187657
ChEBI NameNovaxenicins A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILES[H][C@@]12OC[C@@]3([H])C(=C)C[C@H]4O[C@H]4[C@@](C)(O)CC[C@]3([H])C1=C[C@@]([H])([C@@]1([H])OC1(C)C)O2
InChIInChI=1S/C20H28O5/c1-10-7-14-17(23-14)20(4,21)6-5-11-12-8-15(16-19(2,3)25-16)24-18(12)22-9-13(10)11/h8,11,13-18,21H,1,5-7,9H2,2-4H3/t11-,13+,14-,15+,16-,17-,18+,20+/m1/s1
InChIKeyPVAIAJLEMKCLCA-VQWSFFERSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Novaxenicins A (CHEBI:187657) is a furopyran (CHEBI:74927)
IUPAC Name 
(1R,4R,6R,7S,10S,13S,15S)-13-[(2R)-3,3-dimethyloxiran-2-yl]-7-methyl-2-methylidene-5,14,16-trioxatetracyclo[8.7.0.04,6.011,15]heptadec-11-en-7-ol
Manual XrefsDatabases
24846820ChemSpider