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CHEBI:216161 - Asperterreusine B

ChEBI IDCHEBI:216161
ChEBI NameAsperterreusine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCOc1cc2c(c(OC)c1C(=O)O)O[C@H](C)[C@H]2O
InChIInChI=1S/C12H14O6/c1-5-9(13)6-4-7(16-2)8(12(14)15)11(17-3)10(6)18-5/h4-5,9,13H,1-3H3,(H,14,15)/t5-,9-/m1/s1
InChIKeyUIPFPFNDMUGZKY-MLUIRONXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30308383)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Asperterreusine B (CHEBI:216161) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
(2R,3S)-3-hydroxy-5,7-dimethoxy-2-methyl-2,3-dihydro-1-benzouran-6-carboxylic acid
Manual XrefsDatabases
71048541ChemSpider