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M  END
> <ID>
CHEBI:3900

> <NAME>
costunolide

> <DEFINITION>
A germacranolide with anthelminthic, antiparasitic and antiviral activities.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:545296

> <SYNONYM>
Costus lactone; Costunolide; Costunolid; Costunlide; (E,E)-germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha-hydroxy-gamma-lactone; (E,E)-6-alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oic acid gamma-lactone; (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one; (3aS,6E,10E)-3-methylene-6,10-dimethyl-2,3,3abeta,4,5,8,9,11aalpha-octahydrocyclodeca[b]furan-2-one; (10S,1R)-3,7-dimethyl-11-methylene-13-oxabicyclo[8.3.0]trideca-2,6-dien-12-one; (+)-costunolide; (+)-costunolide

> <IUPAC_NAME>
(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one

> <FORMULA>
C15H20O2; C15H20O2

> <MASS>
232.323

> <MONOISOTOPIC_MASS>
232.14633

> <CHARGE>
0

> <SMILES>
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1

> <INCHI>
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1

> <INCHIKEY>
HRYLQFBHBWLLLL-AHNJNIBGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
14451

> <CAS_REGISTRY_NUMBER>
553-21-9

> <REAXYS_REGISTRY_NUMBER>
14451

> <CHEMIDPLUS>
553-21-9

> <KEGG_COMPOUND_ACCESSION>
C09382

> <KNAPSACK_ACCESSION>
C00003240

> <WIKIPEDIA_ACCESSION>
Costunolide

> <PUBMED_CITATION>
11534769; 11912066; 18409040; 6476889; 14510592

$$$$