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CHEBI:218301 - Cralactone B

Default Structure
ChEBI IDCHEBI:218301
ChEBI NameCralactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O6
Net Charge0
Average Mass320.341
Monoisotopic Mass320.12599
SMILESCOc1cc2c(cc1C)[C@@H](C)[C@H]([C@]1(O)C[C@H](C)OC1=O)C(=O)O2
InChIInChI=1S/C17H20O6/c1-8-5-11-10(3)14(17(20)7-9(2)22-16(17)19)15(18)23-13(11)6-12(8)21-4/h5-6,9-10,14,20H,7H2,1-4H3/t9-,10+,14-,17+/m0/s1
InChIKeyJFFZSQOMBRRERP-JUUSLBMCSA-N
Species of MetaboliteComponentSourceComments
Craterellus odoratus (ncbitaxon:57198) - PubMed (27400392)
ChEBI Ontology
Outgoing Relation(s)
Cralactone B (CHEBI:218301) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
(3R,4S)-3-[(3R,5S)-3-hydroxy-5-methyl-2-oxooxolan-3-yl]-7-methoxy-4,6-dimethyl-3,4-dihydrochromen-2-one
Manual XrefsDatabases
78441805ChemSpider