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CHEBI:175957 - Rosmic acid

ChEBI IDCHEBI:175957
ChEBI NameRosmic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O7
Net Charge0
Average Mass390.432
Monoisotopic Mass390.16785
SMILESCOC(=O)/C(=C\C1=C(C(=O)O)C23CCCC(C)(C)C2C(OC3=O)C1=O)C(C)C
InChIInChI=1S/C21H26O7/c1-10(2)11(18(25)27-5)9-12-13(17(23)24)21-8-6-7-20(3,4)16(21)15(14(12)22)28-19(21)26/h9-10,15-16H,6-8H2,1-5H3,(H,23,24)/b11-9-
InChIKeyCAXSJVGHYYBJKT-LUAWRHEFSA-N
ChEBI Ontology
Outgoing Relation(s)
Rosmic acid (CHEBI:175957) is a terpene lactone (CHEBI:37668)
IUPAC Name 
9-[(Z)-2-methoxycarbonyl-3-methylbut-1-enyl]-5,5-dimethyl-8,11-dioxo-12-oxatricyclo[5.3.2.01,6]dodec-9-ene-10-carboxylic acid
Manual XrefsDatabases
35013434ChemSpider
HMDB0032082HMDB