EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188712 - 5-(Dodecylamino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

ChEBI IDCHEBI:188712
ChEBI Name5-(Dodecylamino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37NO5
Net Charge0
Average Mass515.650
Monoisotopic Mass515.26717
SMILESCCCCCCCCCCCCNc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
InChIInChI=1S/C32H37NO5/c1-2-3-4-5-6-7-8-9-10-11-18-33-22-12-15-25(28(19-22)32(36)37)31-26-16-13-23(34)20-29(26)38-30-21-24(35)14-17-27(30)31/h12-17,19-21,33-34H,2-11,18H2,1H3,(H,36,37)
InChIKeyDDUQPNOYEJDLNX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
5-(Dodecylamino)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CHEBI:188712) is a xanthenes (CHEBI:38835)
IUPAC Name 
5-(dodecylamino)-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Manual XrefsDatabases
24604568ChemSpider