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CHEBI:217245 - Clostyrylpyrone B

Default Structure
ChEBI IDCHEBI:217245
ChEBI NameClostyrylpyrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESC[C@H]1OC(=O)c2c1cc(=O)oc2C=Cc1cc(O)c(O)cc1O
InChIInChI=1S/C16H12O7/c1-7-9-5-14(20)23-13(15(9)16(21)22-7)3-2-8-4-11(18)12(19)6-10(8)17/h2-7,17-19H,1H3/t7-/m1/s1
InChIKeyKVTACKDCSKCUAO-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Clostridium (ncbitaxon:1485) - PubMed (33052676)
ChEBI Ontology
Outgoing Relation(s)
Clostyrylpyrone B (CHEBI:217245) is a benzenetriol (CHEBI:22707)
IUPAC Name 
(1R)-1-methyl-4-[2-(2,4,5-trihydroxyphenyl)ethenyl]-1H-uro[3,4-c]pyran-3,6-dione