EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212124 - Altersolanol N

ChEBI IDCHEBI:212124
ChEBI NameAltersolanol N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O9
Net Charge0
Average Mass378.333
Monoisotopic Mass378.09508
SMILESCOc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1O
InChIInChI=1S/C18H18O9/c1-6(19)27-17-15(23)11-12(16(24)18(17,2)25)13(21)8-4-7(26-3)5-9(20)10(8)14(11)22/h4-5,15-17,20,23-25H,1-3H3/t15-,16+,17+,18-/m0/s1
InChIKeyJDGCLPKEFXLDSC-MLHJIOFPSA-N
Species of MetaboliteComponentSourceComments
Stemphylium globuliferum (ncbitaxon:245170) - DOI (10.1002/ejoc.201101442)
ChEBI Ontology
Outgoing Relation(s)
Altersolanol N (CHEBI:212124) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
[(1S,2R,3S,4R)-1,3,4,8-tetrahydroxy-6-methoxy-3-methyl-9,10-dioxo-2,4-dihydro-1H-anthracen-2-yl] acetate
Manual XrefsDatabases
28289662ChemSpider