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CHEBI:198411 - Nigrosporapyrone B

ChEBI IDCHEBI:198411
ChEBI NameNigrosporapyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25NO5
Net Charge0
Average Mass347.411
Monoisotopic Mass347.17327
SMILESC[C@H]1C=C[C@@H]2[C@@H](CCC[C@H]2O)[C@@H]1c1cc(NCCO)c(C=O)c(=O)o1
InChIInChI=1S/C19H25NO5/c1-11-5-6-12-13(3-2-4-16(12)23)18(11)17-9-15(20-7-8-21)14(10-22)19(24)25-17/h5-6,9-13,16,18,20-21,23H,2-4,7-8H2,1H3/t11-,12+,13+,16+,18+/m0/s1
InChIKeyRNNBHSZAAMKUBX-CIUFSVDPSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (19237178)
ChEBI Ontology
Outgoing Relation(s)
Nigrosporapyrone B (CHEBI:198411) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1R,2S,4aR,5R,8aR)-5-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxopyran-3-carbaldehyde
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27024105ChemSpider