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CHEBI:224950 - Monacolin X

ChEBI IDCHEBI:224950
ChEBI NameMonacolin X
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESCC(=O)[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChIInChI=1S/C24H34O6/c1-13-9-17-6-5-14(2)20(8-7-19-11-18(26)12-22(27)29-19)23(17)21(10-13)30-24(28)15(3)16(4)25/h5-6,9,13-15,18-21,23,26H,7-8,10-12H2,1-4H3/t13-,14+,15+,18-,19-,20-,21-,23+/m1/s1
InChIKeyNXZRZXCVBJAQDF-PVFGSKJPSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (3839224)
ChEBI Ontology
Outgoing Relation(s)
Monacolin X (CHEBI:224950) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1R,3S,7S,8R,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methyl-3-oxobutanoate
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78443268ChemSpider