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CHEBI:227636 - 10'-oxorelgro

ChEBI IDCHEBI:227636
ChEBI Name10'-oxorelgro
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCC(=O)CCC[C@H]1CCCCCc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H24O5/c1-12(19)6-5-9-15-8-4-2-3-7-13-10-14(20)11-16(21)17(13)18(22)23-15/h10-11,15,20-21H,2-9H2,1H3/t15-/m1/s1
InChIKeyUEUKKKFUUWSQNA-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies PSU-ES123 (ncbitaxon:1608752) - DOI (10.1016/j.tet.2016.08.048)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
10'-oxorelgro (CHEBI:227636) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-10,12-dihydroxy-3-(4-oxopentyl)-3,4,5,6,7,8-hexahydro-2-benzoxecin-1-one
Manual XrefsDatabases
58197253ChemSpider