EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209628 - Pseudogymnoascin B

ChEBI IDCHEBI:209628
ChEBI NamePseudogymnoascin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO12
Net Charge0
Average Mass479.394
Monoisotopic Mass479.10638
SMILESCOC(=O)c1c(Oc2cc(C)cc(O)c2C(=O)OC[C@H](C)C(=O)O)c(OC)cc(O)c1[N+](=O)[O-]
InChIInChI=1S/C21H21NO12/c1-9-5-11(23)15(21(28)33-8-10(2)19(25)26)13(6-9)34-18-14(31-3)7-12(24)17(22(29)30)16(18)20(27)32-4/h5-7,10,23-24H,8H2,1-4H3,(H,25,26)/t10-/m0/s1
InChIKeyOBKCMFQKASDENF-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Pseudogymnoascusspecies (ncbitaxon:1891168) - PubMed (25732560)
ChEBI Ontology
Outgoing Relation(s)
Pseudogymnoascin B (CHEBI:209628) is a aromatic ether (CHEBI:35618)
IUPAC Name 
3-[2-hydroxy-6-(4-hydroxy-6-methoxy-2-methoxycarbonyl-3-nitrophenoxy)-4-methylbenzoyl]oxy-2-methylpropanoic acid
Manual XrefsDatabases
35516927ChemSpider