EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220242 - (-)-botryodiplodin dimer

ChEBI IDCHEBI:220242
ChEBI Name(-)-botryodiplodin dimer
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O5
Net Charge0
Average Mass270.325
Monoisotopic Mass270.14672
SMILESCC(=O)[C@@H]1CO[C@@H](O[C@@H]2OC[C@@H](C(C)=O)[C@H]2C)[C@@H]1C
InChIInChI=1S/C14H22O5/c1-7-11(9(3)15)5-17-13(7)19-14-8(2)12(6-18-14)10(4)16/h7-8,11-14H,5-6H2,1-4H3/t7-,8-,11-,12-,13+,14+/m1/s1
InChIKeyLOKALHOVFCLNSO-IZIREBJPSA-N
Species of MetaboliteComponentSourceComments
Talaromyces coalescens (ncbitaxon:1131645) - PubMed (17628075)
ChEBI Ontology
Outgoing Relation(s)
(-)-botryodiplodin dimer (CHEBI:220242) is a oxolanes (CHEBI:26912)
IUPAC Name 
1-[(3S,4R,5S)-5-[(2S,3R,4S)-4-acetyl-3-methyloxolan-2-yl]oxy-4-methyloxolan-3-yl]ethanone
Manual XrefsDatabases
31118136ChemSpider