EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213324 - 1'-hydroxyisorhodoptilometrin

ChEBI IDCHEBI:213324
ChEBI Name1'-hydroxyisorhodoptilometrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O7
Net Charge0
Average Mass330.292
Monoisotopic Mass330.07395
SMILESC[C@@H](O)[C@@H](O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C17H14O7/c1-6(18)15(22)7-2-9-13(11(20)3-7)17(24)14-10(16(9)23)4-8(19)5-12(14)21/h2-6,15,18-22H,1H3/t6-,15-/m1/s1
InChIKeyBMKQPAJRQUUYGC-NPMWZIQKSA-N
Species of MetaboliteComponentSourceComments
Penicillium restrictum (ncbitaxon:69784) - PubMed (24911880)
ChEBI Ontology
Outgoing Relation(s)
1'-hydroxyisorhodoptilometrin (CHEBI:213324) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
3-[(1S,2R)-1,2-dihydroxypropyl]-1,6,8-trihydroxyanthracene-9,10-dione
Manual XrefsDatabases
34218605ChemSpider