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CHEBI:199259 - Pyrenolide D

ChEBI IDCHEBI:199259
ChEBI NamePyrenolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O5
Net Charge0
Average Mass212.201
Monoisotopic Mass212.06847
SMILESC[C@H]1O[C@@H]2C[C@]3(C=CC(=O)O3)O[C@@H]2[C@H]1O
InChIInChI=1S/C10H12O5/c1-5-8(12)9-6(13-5)4-10(15-9)3-2-7(11)14-10/h2-3,5-6,8-9,12H,4H2,1H3/t5-,6-,8+,9+,10+/m1/s1
InChIKeyVRNZBLTUSHYQEF-IWSQBXEPSA-N
Species of MetaboliteComponentSourceComments
Pyrenophora teres (ncbitaxon:53485) - PubMed (27286402)
ChEBI Ontology
Outgoing Relation(s)
Pyrenolide D (CHEBI:199259) is a furofuran (CHEBI:47790)
IUPAC Name 
(2R,3S,3aR,5S,6aR)-3-hydroxy-2-methylspiro[3,3a,6,6a-tetrahydro-2H-uro[3,2-b]uran-5,5'-uran]-2'-one
Manual XrefsDatabases
8528571ChemSpider