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CHEBI:211371 - Peneciraistin A

ChEBI IDCHEBI:211371
ChEBI NamePeneciraistin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESCc1c(O)cc2c(c1O)CO[C@]1(C2)O[C@@H](C)CC[C@@H]1O
InChIInChI=1S/C15H20O5/c1-8-3-4-13(17)15(20-8)6-10-5-12(16)9(2)14(18)11(10)7-19-15/h5,8,13,16-18H,3-4,6-7H2,1-2H3/t8-,13-,15+/m0/s1
InChIKeySUQIXSQBLCRCPS-MIUALZABSA-N
Species of MetaboliteComponentSourceComments
Penicillium raistrickii (ncbitaxon:69783) - DOI (10.1016/j.tet.2012.01.054)
ChEBI Ontology
Outgoing Relation(s)
Peneciraistin A (CHEBI:211371) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,3'S,6'S)-6',7-dimethylspiro[1,4-dihydroisochromene-3,2'-oxane]-3',6,8-triol
Manual XrefsDatabases
28289710ChemSpider