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CHEBI:225806 - 6A-Methylpenicillactone A

ChEBI IDCHEBI:225806
ChEBI Name6A-Methylpenicillactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O10
Net Charge0
Average Mass506.548
Monoisotopic Mass506.21520
SMILESCCCCCC[C@H]1C=C([C@]2(C(=O)OC)C[C@@H]([C@@H](O)[C@H]3CC=CC(=O)O3)C[C@]23C[C@H](O)OC3=O)C(=O)O1
InChIInChI=1S/C26H34O10/c1-3-4-5-6-8-16-11-17(22(30)34-16)26(24(32)33-2)13-15(12-25(26)14-20(28)36-23(25)31)21(29)18-9-7-10-19(27)35-18/h7,10-11,15-16,18,20-21,28-29H,3-6,8-9,12-14H2,1-2H3/t15-,16-,18+,20+,21+,25+,26-/m0/s1
InChIKeyAZFBFLNJJQZRDH-BXMHUYDBSA-N
Species of MetaboliteComponentSourceComments
Talaromyces purpureogenus (ncbitaxon:1266744) - PubMed (31710490)
ChEBI Ontology
Outgoing Relation(s)
6A-Methylpenicillactone A (CHEBI:225806) has functional parent tetracarboxylic acid (CHEBI:35742)
6A-Methylpenicillactone A (CHEBI:225806) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
methyl (3R,5S,7S,9S)-9-[(2S)-2-hexyl-5-oxo-2H-uran-4-yl]-3-hydroxy-7-[(R)-hydroxy-[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]-1-oxo-2-oxaspiro[4.4]nonane-9-carboxylate