EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198917 - Isopestacin

ChEBI IDCHEBI:198917
ChEBI NameIsopestacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O5
Net Charge0
Average Mass272.256
Monoisotopic Mass272.06847
SMILESCc1cc(O)c2c(c1)[C@@H](c1c(O)cccc1O)OC2=O
InChIInChI=1S/C15H12O5/c1-7-5-8-12(11(18)6-7)15(19)20-14(8)13-9(16)3-2-4-10(13)17/h2-6,14,16-18H,1H3/t14-/m0/s1
InChIKeyAXNRJZYZYVZLFZ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis microspora (ncbitaxon:85828) - DOI (10.1016/s0031-9422(02)00062-6)
ChEBI Ontology
Outgoing Relation(s)
Isopestacin (CHEBI:198917) is a benzofurans (CHEBI:35259)
IUPAC Name 
3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
8461566ChemSpider