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CHEBI:197823 - Coniofurol A

ChEBI IDCHEBI:197823
ChEBI NameConiofurol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESCOC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)O[C@@H]1CCO
InChIInChI=1S/C16H16O8/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3/t10-,16+/m1/s1
InChIKeyNOVKWPGSOIBVFB-HWPZZCPQSA-N
Species of MetaboliteComponentSourceComments
Coniochaetaspecies (ncbitaxon:1849801) - PubMed (20405881)
ChEBI Ontology
Outgoing Relation(s)
Coniofurol A (CHEBI:197823) is a coumarins (CHEBI:23403)
IUPAC Name 
methyl (2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H-uro[2,3-b]chromene-3-carboxylate
Manual XrefsDatabases
24671126ChemSpider