CHEBI:215897 - Sterenin J

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ChEBI Name Sterenin J
ChEBI ID CHEBI:215897
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O8
Net Charge 0
Average Mass 402.399
Monoisotopic Mass 402.13147
InChI InChI=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
InChIKey VOISZAZWZMMJKL-HNNXBMFYSA-N
SMILES O=C(OC1=C2C(O[C@@H](C2)C(O)(C)C)=C(C(=O)O)C(=C1)C)C3=C(O)C=C(O)C=C3C
Metabolite of Species Details
Stereum hirsutum (NCBI:txid40492) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
78435358 ChemSpider
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