EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216891 - PI-220

ChEBI IDCHEBI:216891
ChEBI NamePI-220
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O6
Net Charge0
Average Mass386.444
Monoisotopic Mass386.17294
SMILESCOC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@]3(C)C/C=C/C(C)(C)O)C1=O
InChIInChI=1S/C22H26O6/c1-11-17(24)15-13(18(25)19(11)27-6)10-14(23)16-20(15)28-12(2)22(16,5)9-7-8-21(3,4)26/h7-8,10,12,23,26H,9H2,1-6H3/b8-7+/t12-,22-/m0/s1
InChIKeyBOPUOIHQJXMJIR-VIVTXNIKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1271/bbb.57.766)
ChEBI Ontology
Outgoing Relation(s)
PI-220 (CHEBI:216891) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(2S,3R)-4-hydroxy-3-[(E)-4-hydroxy-4-methylpent-2-enyl]-7-methoxy-2,3,8-trimethyl-2H-benzo[g][1]benzouran-6,9-dione
Manual XrefsDatabases
78438128ChemSpider