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CHEBI:200881 - Aspernolide K

ChEBI IDCHEBI:200881
ChEBI NameAspernolide K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O8
Net Charge0
Average Mass454.475
Monoisotopic Mass454.16277
SMILESCOC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](O)C(C)(C)O3)OC(=O)C(OC)=C1c1ccc(O)cc1
InChIInChI=1S/C25H26O8/c1-24(2)19(27)12-16-11-14(5-10-18(16)32-24)13-25(23(29)31-4)20(21(30-3)22(28)33-25)15-6-8-17(26)9-7-15/h5-11,19,26-27H,12-13H2,1-4H3/t19-,25+/m0/s1
InChIKeyKIXPVRZDVZKIHJ-UQBPGWFLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus iizukae (ncbitaxon:41901) - DOI (10.1016/j.phytol.2016.03.014)
ChEBI Ontology
Outgoing Relation(s)
Aspernolide K (CHEBI:200881) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
methyl (2R)-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxouran-2-carboxylate
Manual XrefsDatabases
78442285ChemSpider