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CHEBI:208371 - Peneciraistin B

ChEBI IDCHEBI:208371
ChEBI NamePeneciraistin B
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-IIRLODAESA-N
Species of MetaboliteComponentSourceComments
Penicillium raistrickii (ncbitaxon:69783) - DOI (10.1016/j.tet.2012.01.054)
ChEBI Ontology
Outgoing Relation(s)
Peneciraistin B (CHEBI:208371) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,3'S,6'S)-6',7-dimethylspiro[1,4-dihydroisochromene-3,2'-oxane]-3',6,8-triol
Manual XrefsDatabases
29214566ChemSpider