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CHEBI:227906 - (3S)-3-(2,5-dihydroxy-3-methoxyphenyl)-4,7-dihydroxy-5-methyl-3H-2-benzouran-1-one

ChEBI IDCHEBI:227906
ChEBI Name(3S)-3-(2,5-dihydroxy-3-methoxyphenyl)-4,7-dihydroxy-5-methyl-3H-2-benzouran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O7
Net Charge0
Average Mass318.281
Monoisotopic Mass318.07395
SMILESCOc1cc(O)cc([C@@H]2OC(=O)c3c(O)cc(C)c(O)c32)c1O
InChIInChI=1S/C16H14O7/c1-6-3-9(18)11-12(13(6)19)15(23-16(11)21)8-4-7(17)5-10(22-2)14(8)20/h3-5,15,17-20H,1-2H3/t15-/m0/s1
InChIKeyMPDPWYSAZMUSCG-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Eurotium (ncbitaxon:28569) - PubMed (27376714)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-(2,5-dihydroxy-3-methoxyphenyl)-4,7-dihydroxy-5-methyl-3H-2-benzouran-1-one (CHEBI:227906) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-3-(2,5-dihydroxy-3-methoxyphenyl)-4,7-dihydroxy-5-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
60596954ChemSpider