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CHEBI:175331 - 10-Hydroxymelleolide

ChEBI IDCHEBI:175331
ChEBI Name10-Hydroxymelleolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O7
Net Charge0
Average Mass416.470
Monoisotopic Mass416.18350
SMILESCc1cc(O)cc(O)c1C(=O)OC1CC2(C)C3C(C=C(C=O)C12O)CC(C)(C)C3O
InChIInChI=1S/C23H28O7/c1-11-5-14(25)7-15(26)17(11)20(28)30-16-9-22(4)18-12(8-21(2,3)19(18)27)6-13(10-24)23(16,22)29/h5-7,10,12,16,18-19,25-27,29H,8-9H2,1-4H3
InChIKeyVNRLQDGXGABKPC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
10-Hydroxymelleolide (CHEBI:175331) is a benzoate ester (CHEBI:36054)
10-Hydroxymelleolide (CHEBI:175331) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3-ormyl-2a,7-dihydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-2-yl) 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
35014660ChemSpider
HMDB0038786HMDB