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CHEBI:197822 - 15G256kappa

ChEBI IDCHEBI:197822
ChEBI Name15G256kappa
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O7
Net Charge0
Average Mass298.291
Monoisotopic Mass298.10525
SMILESC[C@H](CC(=O)O)OC(=O)c1c(O)cc(O)cc1C[C@@H](C)O
InChIInChI=1S/C14H18O7/c1-7(15)3-9-5-10(16)6-11(17)13(9)14(20)21-8(2)4-12(18)19/h5-8,15-17H,3-4H2,1-2H3,(H,18,19)/t7-,8-/m1/s1
InChIKeyRVGZAGGMKFTAMS-HTQZYQBOSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - DOI (10.1016/s0040-4020(02)00746-9)
ChEBI Ontology
Outgoing Relation(s)
15G256kappa (CHEBI:197822) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(3R)-3-[2,4-dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl]oxybutanoic acid
Manual XrefsDatabases
78436133ChemSpider