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CHEBI:216341 - Aspergoterpenin B

ChEBI IDCHEBI:216341
ChEBI NameAspergoterpenin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILESCC(CCC[C@](C)(O)c1ccc(C(=O)O)cc1O)C(=O)O
InChIInChI=1S/C15H20O6/c1-9(13(17)18)4-3-7-15(2,21)11-6-5-10(14(19)20)8-12(11)16/h5-6,8-9,16,21H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)/t9?,15-/m0/s1
InChIKeyQCWCADCWFPVLMA-POGJTHQKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (29843405)
ChEBI Ontology
Outgoing Relation(s)
Aspergoterpenin B (CHEBI:216341) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-[(2S)-6-carboxy-2-hydroxyheptan-2-yl]-3-hydroxybenzoic acid