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CHEBI:202153 - Sterenin K

ChEBI IDCHEBI:202153
ChEBI NameSterenin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27NO8
Net Charge0
Average Mass469.490
Monoisotopic Mass469.17367
SMILESCC(C)=CCc1c(OC(=O)c2c(C)cc(O)cc2O)cc2c(c1O)CN(CCCC(=O)O)C2=O
InChIInChI=1S/C25H27NO8/c1-13(2)6-7-16-20(34-25(33)22-14(3)9-15(27)10-19(22)28)11-17-18(23(16)31)12-26(24(17)32)8-4-5-21(29)30/h6,9-11,27-28,31H,4-5,7-8,12H2,1-3H3,(H,29,30)
InChIKeySBMMCNVNQWPEAI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (25029175)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sterenin K (CHEBI:202153) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
4-[5-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-6-(3-methylbut-2-enyl)-3-oxo-1H-isoindol-2-yl]butanoic acid
Manual XrefsDatabases
78435338ChemSpider