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CHEBI:227407 - Botryoisocoumarin A

ChEBI IDCHEBI:227407
ChEBI NameBotryoisocoumarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O5
Net Charge0
Average Mass210.185
Monoisotopic Mass210.05282
SMILESO=C1O[C@H](CO)Cc2c(O)ccc(O)c21
InChIInChI=1S/C10H10O5/c11-4-5-3-6-7(12)1-2-8(13)9(6)10(14)15-5/h1-2,5,11-13H,3-4H2/t5-/m0/s1
InChIKeyZWUDMMSALBLKBH-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeriaspecies (ncbitaxon:1869280) - PubMed (25966851)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Botryoisocoumarin A (CHEBI:227407) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3S)-5,8-dihydroxy-3-(hydroxymethyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
40256653ChemSpider