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CHEBI:212896 - Curvulone C

ChEBI IDCHEBI:212896
ChEBI NameCurvulone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESC[C@H]1CCC[C@@H](CC(=O)c2c(O)cc(O)cc2CC(=O)O)O1
InChIInChI=1S/C16H20O6/c1-9-3-2-4-12(22-9)8-14(19)16-10(6-15(20)21)5-11(17)7-13(16)18/h5,7,9,12,17-18H,2-4,6,8H2,1H3,(H,20,21)/t9-,12-/m0/s1
InChIKeyBCJSPKWHOSGEDE-CABZTGNLSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28869509)
ChEBI Ontology
Outgoing Relation(s)
Curvulone C (CHEBI:212896) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[3,5-dihydroxy-2-[2-[(2S,6S)-6-methyloxan-2-yl]acetyl]phenyl]acetic acid
Manual XrefsDatabases
62343773ChemSpider