EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220973 - Alnumycin

ChEBI IDCHEBI:220973
ChEBI NameAlnumycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@@H]1OC[C@@H](O)[C@H](CO)O1)=CC3=O
InChIInChI=1S/C22H24O8/c1-3-4-16-18-11(5-10(2)29-16)6-12-14(24)7-13(20(26)19(12)21(18)27)22-28-9-15(25)17(8-23)30-22/h5-7,15-17,22-23,25,27H,3-4,8-9H2,1-2H3/t15-,16-,17+,22-/m1/s1
InChIKeyDRXHQLTVRTWTGH-DBHNTLKXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9589078)
ChEBI Ontology
Outgoing Relation(s)
Alnumycin (CHEBI:220973) is a quinone (CHEBI:36141)
IUPAC Name 
(1R)-10-hydroxy-8-[(2R,4S,5R)-5-hydroxy-4-(hydroxymethyl)-1,3-dioxan-2-yl]-3-methyl-1-propyl-1H-benzo[g]isochromene-6,9-dione
Manual XrefsDatabases
78442883ChemSpider