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CHEBI:221980 - Nigrosporapyrone C

ChEBI IDCHEBI:221980
ChEBI NameNigrosporapyrone C
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SubmitterMetaboLights
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FormulaC19H25NO5
Net Charge0
Average Mass347.411
Monoisotopic Mass347.17327
SMILESC[C@H]1C=C[C@H]2C[C@H](O)CC[C@H]2[C@@H]1c1cc(NCCO)c(C=O)c(=O)o1
InChIInChI=1S/C19H25NO5/c1-11-2-3-12-8-13(23)4-5-14(12)18(11)17-9-16(20-6-7-21)15(10-22)19(24)25-17/h2-3,9-14,18,20-21,23H,4-8H2,1H3/t11-,12-,13+,14+,18+/m0/s1
InChIKeyROOOTUHHZZUPIY-NMGOSJPMSA-N
Species of MetaboliteComponentSourceComments
Nigrospora (ncbitaxon:114230) - PubMed (19237178)
ChEBI Ontology
Outgoing Relation(s)
Nigrosporapyrone C (CHEBI:221980) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1R,2S,4aR,6R,8aR)-6-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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27024106ChemSpider