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CHEBI:222688 - Citreorosein-3-O-sulphate

ChEBI IDCHEBI:222688
ChEBI NameCitreorosein-3-O-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10O9S
Net Charge0
Average Mass366.303
Monoisotopic Mass366.00455
SMILESO=C1c2cc(CO)cc(O)c2C(=O)c2c(O)cc(OS(=O)(=O)O)cc21
InChIInChI=1S/C15H10O9S/c16-5-6-1-8-12(10(17)2-6)15(20)13-9(14(8)19)3-7(4-11(13)18)24-25(21,22)23/h1-4,16-18H,5H2,(H,21,22,23)
InChIKeyBBUVQHNNCYMHAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (24261577)
ChEBI Ontology
Outgoing Relation(s)
Citreorosein-3-O-sulphate (CHEBI:222688) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[4,5-dihydroxy-7-(hydroxymethyl)-9,10-dioxoanthracen-2-yl] hydrogen sulate
Manual XrefsDatabases
32675007ChemSpider