CHEBI:181773 - 9,13,13-Trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid

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ChEBI Name 9,13,13-Trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid
ChEBI ID CHEBI:181773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O4
Net Charge 0
Average Mass 320.429
Monoisotopic Mass 320.19876
InChI InChI=1S/C19H28O4/c1-17(2)9-14-13(17)5-7-18(3)6-4-12-11(16(21)22)8-15(20)23-19(12,14)10-18/h11-14H,4-10H2,1-3H3,(H,21,22)
InChIKey QKVNMVAISCKGFO-UHFFFAOYSA-N
SMILES O1C23C4C(C(C4)(C)C)CCC(C2)(CCC3C(CC1=O)C(O)=O)C
ChEBI Ontology
Outgoing 9,13,13-Trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid (CHEBI:181773) is a δ-lactone (CHEBI:18946)
IUPAC Name
9,13,13-trimethyl-3-oxo-2-oxatetracyclo[7.6.1.01,6.012,15]hexadecane-5-carboxylic acid