EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187746 - Anastatin A

ChEBI IDCHEBI:187746
ChEBI NameAnastatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O7
Net Charge0
Average Mass378.336
Monoisotopic Mass378.07395
SMILESO=C1C[C@@H](c2ccc(O)cc2)Oc2cc3oc4cc(O)c(O)cc4c3c(O)c21
InChIInChI=1S/C21H14O7/c22-10-3-1-9(2-4-10)15-7-14(25)20-18(27-15)8-17-19(21(20)26)11-5-12(23)13(24)6-16(11)28-17/h1-6,8,15,22-24,26H,7H2/t15-/m0/s1
InChIKeyDBSPNTHFWOUQFX-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Anastatin A (CHEBI:187746) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
(2S)-5,7,8-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-[1]benzouro[3,2-g]chromen-4-one
Manual XrefsDatabases
8309753ChemSpider
LMPK12140273LIPID MAPS