EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213179 - Altersolanol D

ChEBI IDCHEBI:213179
ChEBI NameAltersolanol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8
Net Charge0
Average Mass336.296
Monoisotopic Mass336.08452
SMILESCOc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@@H](O)[C@](C)(O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(17)4-7(8)24-2/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
InChIKeyMJWABJMLXRFZIX-JJXSEGSLSA-N
Species of MetaboliteComponentSourceComments
Alternaria solani (ncbitaxon:48100) - DOI (10.1016/0021-9673(93)80481-m)
ChEBI Ontology
Outgoing Relation(s)
Altersolanol D (CHEBI:213179) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,2R,3S,4R)-1,2,3,4,6-pentahydroxy-8-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
Manual XrefsDatabases
31130471ChemSpider