EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211634 - Alokicenone H

ChEBI IDCHEBI:211634
ChEBI NameAlokicenone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCCOC(=O)[C@@H](Cc1c(O)cc(C)c2c(O)c3c(cc12)[C@@H](O)CCC3=O)C(=O)OC
InChIInChI=1S/C22H24O8/c1-4-30-22(28)14(21(27)29-3)8-11-12-9-13-15(23)5-6-16(24)19(13)20(26)18(12)10(2)7-17(11)25/h7,9,14-15,23,25-26H,4-6,8H2,1-3H3/t14-,15-/m0/s1
InChIKeyJWHVHOHFMSBJIG-GJZGRUSLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.09.049)
ChEBI Ontology
Outgoing Relation(s)
Alokicenone H (CHEBI:211634) is a anthracenes (CHEBI:46955)
IUPAC Name 
1-O-ethyl 3-O-methyl (2S)-2-[[(8S)-2,8,10-trihydroxy-4-methyl-5-oxo-7,8-dihydro-6H-anthracen-1-yl]methyl]propanedioate
Manual XrefsDatabases
71048813ChemSpider