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CHEBI:216100 - Microsphaeropsin B

ChEBI IDCHEBI:216100
ChEBI NameMicrosphaeropsin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC[C@@H]1CC=Cc2c1ccc(C(C)(O)CO)c2CO
InChIInChI=1S/C15H20O3/c1-10-4-3-5-12-11(10)6-7-14(13(12)8-16)15(2,18)9-17/h3,5-7,10,16-18H,4,8-9H2,1-2H3/t10-,15?/m1/s1
InChIKeyXICSTKBYGWRFGS-INHVJJQHSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - DOI (10.1002/ejoc.200700348)
ChEBI Ontology
Outgoing Relation(s)
Microsphaeropsin B (CHEBI:216100) is a naphthalenes (CHEBI:25477)
IUPAC Name 
2-[(5R)-1-(hydroxymethyl)-5-methyl-5,6-dihydronaphthalen-2-yl]propane-1,2-diol
Manual XrefsDatabases
78442645ChemSpider