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CHEBI:209243 - Curvulone B

ChEBI IDCHEBI:209243
ChEBI NameCurvulone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCOC(=O)Cc1cc(O)cc(O)c1C(=O)C[C@H]1CCC[C@@H](C)O1
InChIInChI=1S/C17H22O6/c1-10-4-3-5-13(23-10)9-15(20)17-11(7-16(21)22-2)6-12(18)8-14(17)19/h6,8,10,13,18-19H,3-5,7,9H2,1-2H3/t10-,13-/m1/s1
InChIKeyHLONHEIIGSDLQH-ZWNOBZJWSA-N
Species of MetaboliteComponentSourceComments
Curvulariaspecies (ncbitaxon:1715225) - DOI (10.1002/ejoc.201001237)
ChEBI Ontology
Outgoing Relation(s)
Curvulone B (CHEBI:209243) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 2-[3,5-dihydroxy-2-[2-[(2R,6R)-6-methyloxan-2-yl]acetyl]phenyl]acetate
Manual XrefsDatabases
27022881ChemSpider