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CHEBI:199138 - Asperdemin

ChEBI IDCHEBI:199138
ChEBI NameAsperdemin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O7
Net Charge0
Average Mass392.448
Monoisotopic Mass392.18350
SMILESCc1cc2c(c(=O)o1)C[C@@H]1[C@@]3(C)[C@@H](O)CC(=O)OC(C)(C)[C@@H]3[C@H](O)C[C@@]1(C)O2
InChIInChI=1S/C21H28O7/c1-10-6-13-11(18(25)26-10)7-14-20(4,27-13)9-12(22)17-19(2,3)28-16(24)8-15(23)21(14,17)5/h6,12,14-15,17,22-23H,7-9H2,1-5H3/t12-,14+,15+,17+,20-,21+/m1/s1
InChIKeyVSZQTZRSJAGTKI-WRFKWHTOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1007/s11172-010-0173-5)
ChEBI Ontology
Outgoing Relation(s)
Asperdemin (CHEBI:199138) is a lactone (CHEBI:25000)
IUPAC Name 
(1R,2R,3S,8S,9R,11R)-3,9-dihydroxy-2,7,7,11,15-pentamethyl-6,12,16-trioxatetracyclo[9.8.0.02,8.013,18]nonadeca-13(18),14-diene-5,17-dione
Manual XrefsDatabases
27025314ChemSpider