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CHEBI:192394 - 1,5-Dihydroxy-4,8-bis(hydroxy(hydroxymethyl)amino)anthraquinone

Default Structure
ChEBI IDCHEBI:192394
ChEBI Name1,5-Dihydroxy-4,8-bis(hydroxy(hydroxymethyl)amino)anthraquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14N2O8
Net Charge0
Average Mass362.294
Monoisotopic Mass362.07502
SMILESO=C1c2c(O)ccc(N(O)CO)c2C(=O)c2c(O)ccc(N(O)CO)c21
InChIInChI=1S/C16H14N2O8/c19-5-17(25)7-1-3-9(21)13-11(7)15(23)14-10(22)4-2-8(18(26)6-20)12(14)16(13)24/h1-4,19-22,25-26H,5-6H2
InChIKeyNNFRZBVKYJQYDZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
1,5-Dihydroxy-4,8-bis(hydroxy(hydroxymethyl)amino)anthraquinone (CHEBI:192394) is a anthraquinone (CHEBI:22580)
IUPAC Name 
1,5-dihydroxy-4,8-bis[hydroxy(hydroxymethyl)amino]anthracene-9,10-dione
Manual XrefsDatabases
95025ChemSpider
Registry NumbersSources
CAS:66304-07-2ChemIDplus