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CHEBI:210727 - Solanopyrone C

ChEBI IDCHEBI:210727
ChEBI NameSolanopyrone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25NO4
Net Charge0
Average Mass331.412
Monoisotopic Mass331.17836
SMILESC[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@H]1c1cc(NCCO)c(C=O)c(=O)o1
InChIInChI=1S/C19H25NO4/c1-12-6-7-13-4-2-3-5-14(13)18(12)17-10-16(20-8-9-21)15(11-22)19(23)24-17/h6-7,10-14,18,20-21H,2-5,8-9H2,1H3/t12-,13+,14+,18+/m1/s1
InChIKeyFDLXGUBSZCJEGE-COJSNBRMSA-N
Species of MetaboliteComponentSourceComments
Alternaria solani (ncbitaxon:48100) - DOI (10.1016/s0040-4039(00)87872-7)
ChEBI Ontology
Outgoing Relation(s)
Solanopyrone C (CHEBI:210727) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1S,2R,4aS,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-4-(2-hydroxyethylamino)-2-oxopyran-3-carbaldehyde
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78439719ChemSpider