EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216993 - Graphostrin D

ChEBI IDCHEBI:216993
ChEBI NameGraphostrin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESC[C@@](O)(CO)[C@@H]1Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C12H14O5/c1-12(16,6-13)10-5-8-4-7(11(14)15)2-3-9(8)17-10/h2-4,10,13,16H,5-6H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyFJADDADWSOQZDZ-CMPLNLGQSA-N
Species of MetaboliteComponentSourceComments
Graphostroma (ncbitaxon:190933) - PubMed (29355320)
ChEBI Ontology
Outgoing Relation(s)
Graphostrin D (CHEBI:216993) is a 1-benzofurans (CHEBI:38830)
IUPAC Name 
(2S)-2-[(2R)-1,2-dihydroxypropan-2-yl]-2,3-dihydro-1-benzouran-5-carboxylic acid
Manual XrefsDatabases
65323344ChemSpider