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CHEBI:227099 - Solanopyrone B

ChEBI IDCHEBI:227099
ChEBI NameSolanopyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O4
Net Charge0
Average Mass304.386
Monoisotopic Mass304.16746
SMILESCOc1cc([C@@H]2[C@H]3CCCC[C@H]3C=C[C@H]2C)oc(=O)c1CO
InChIInChI=1S/C18H24O4/c1-11-7-8-12-5-3-4-6-13(12)17(11)16-9-15(21-2)14(10-19)18(20)22-16/h7-9,11-13,17,19H,3-6,10H2,1-2H3/t11-,12+,13+,17+/m1/s1
InChIKeyYJHFAFJKTXEFDR-XREXNNHRSA-N
Species of MetaboliteComponentSourceComments
Alternaria solani (ncbitaxon:48100) - DOI (10.1016/s0040-4039(00)87872-7)
ChEBI Ontology
Outgoing Relation(s)
Solanopyrone B (CHEBI:227099) 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]-3-(hydroxymethyl)-4-methoxypyran-2-one
Manual XrefsDatabases
9132900ChemSpider