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CHEBI:224378 - Melledonal

ChEBI IDCHEBI:224378
ChEBI NameMelledonal
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O8
Net Charge0
Average Mass432.469
Monoisotopic Mass432.17842
SMILESCc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3[C@@H](O)C(C)(C)C[C@]3(O)C=C(C=O)[C@]12O
InChIInChI=1S/C23H28O8/c1-11-5-13(25)6-14(26)16(11)19(28)31-15-8-21(4)17-18(27)20(2,3)10-22(17,29)7-12(9-24)23(15,21)30/h5-7,9,15,17-18,25-27,29-30H,8,10H2,1-4H3/t15-,17-,18-,21-,22-,23+/m1/s1
InChIKeyBYWJNFQCWYEWHX-GLHKQHFESA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - DOI (10.1016/s0040-4039(00)95035-4)
ChEBI Ontology
Outgoing Relation(s)
Melledonal (CHEBI:224378) is a benzoate ester (CHEBI:36054)
Melledonal (CHEBI:224378) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(2R,2aS,4aS,7R,7aS,7bR)-3-ormyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
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78437746ChemSpider