CHEBI:203075 - Phaeofuran B

ChEBI IDCHEBI:203075
ChEBI NamePhaeofuran B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCCC(O)[C@H]1OCC2=C1[C@@H](O)[C@H]1O[C@H]1[C@@H]2O
InChIInChI=1S/C12H18O5/c1-2-3-6(13)10-7-5(4-16-10)8(14)11-12(17-11)9(7)15/h6,8-15H,2-4H2,1H3/t6?,8-,9-,10-,11+,12-/m1/s1
InChIKeySRPYFEBUZUGTPY-UARVUDJCSA-N
Species of MetaboliteComponentSourceComments
Phaeoacremoniumspecies NRRL 32148 (ncbitaxon:1054402) - PubMed (16441079)
ChEBI Ontology
Outgoing Relation(s)
Phaeofuran B (CHEBI:203075) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(1aR,2R,3S,6R,6aS)-3-(1-hydroxybutyl)-1a,2,3,5,6,6a-hexahydrooxireno[2,3-][2]benzouran-2,6-diol
Manual XrefsDatabases
9855040ChemSpider