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CHEBI:215897 - Sterenin J

ChEBI IDCHEBI:215897
ChEBI NameSterenin J
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SubmitterMetaboLights
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FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCc1cc(O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c2c1C[C@@H](C(C)(C)O)O2
InChIInChI=1S/C21H22O8/c1-9-5-11(22)7-13(23)16(9)20(26)28-14-6-10(2)17(19(24)25)18-12(14)8-15(29-18)21(3,4)27/h5-7,15,22-23,27H,8H2,1-4H3,(H,24,25)/t15-/m0/s1
InChIKeyVOISZAZWZMMJKL-HNNXBMFYSA-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 J (CHEBI:215897) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzouran-7-carboxylic acid
Manual XrefsDatabases
78435358ChemSpider