Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 14:26:11 UTC
Update Date2022-12-15 22:51:46 UTC
Metabolite IDMMDBc0024620
Metabolite Identification
Common NameMelleolide C
Descriptionmelleolide C belongs to the class of organic compounds known as melleolides and analogues. Melleolides and analogues are compounds with a structure characterized by the presence of a 2-hydroxy-4-methoxy-6-methylbenzoic acid derivative linked to a 3,6,6,7b-tetramethyl-cyclobuta[e]indene moiety. Based on a literature review very few articles have been published on melleolide C.
Structure
SynonymsNot Available
Molecular FormulaC24H32O8
Average Mass448.512
Monoisotopic Mass448.20971799
IUPAC Name(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,2aH,4aH,5H,6H,7H,7aH,7bH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
Traditional Name(2R,2aS,4aR,7R,7aS,7bR)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H,2H,5H,7H,7aH-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
CAS Registry NumberNot Available
SMILES
[H][C@]1(C[C@]2(C)[C@@]3([H])[C@@]([H])(O)C(C)(C)C[C@@]3(O)C=C(CO)[C@]12O)OC(=O)C1=C(O)C=C(OC)C=C1C
InChI Identifier
InChI=1S/C24H32O8/c1-12-6-14(31-5)7-15(26)17(12)20(28)32-16-9-22(4)18-19(27)21(2,3)11-23(18,29)8-13(10-25)24(16,22)30/h6-8,16,18-19,25-27,29-30H,9-11H2,1-5H3/t16-,18-,19-,22-,23+,24+/m1/s1
InChI KeyXXMVVKDVYBWXPQ-QSNWBFGMSA-N