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CHEBI:208686 - Hansforester J

ChEBI IDCHEBI:208686
ChEBI NameHansforester J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILESC[C@H](Cc1cc(O)cc(O)c1)OC(=O)C[C@@H](C)OC(=O)c1c(O)cc(O)cc1C[C@@H](C)OC(=O)C[C@@H](C)O
InChIInChI=1S/C27H34O11/c1-14(28)5-24(33)37-16(3)7-19-11-22(31)13-23(32)26(19)27(35)38-17(4)8-25(34)36-15(2)6-18-9-20(29)12-21(30)10-18/h9-17,28-32H,5-8H2,1-4H3/t14-,15-,16-,17-/m1/s1
InChIKeyVBVVLENGSKTSOM-QBPKDAKJSA-N
Species of MetaboliteComponentSourceComments
Ascotricha sinuosa (ncbitaxon:1217297) - DOI (10.1039/c8ra08606k)
ChEBI Ontology
Outgoing Relation(s)
Hansforester J (CHEBI:208686) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(2R)-4-[(2R)-1-(3,5-dihydroxyphenyl)propan-2-yl]oxy-4-oxobutan-2-yl] 2,4-dihydroxy-6-[(2R)-2-[(3R)-3-hydroxybutanoyl]oxypropyl]benzoate
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71048437ChemSpider