CHEBI:182463 - (9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate
ChEBI ID CHEBI:182463
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H22O5
Net Charge 0
Average Mass 306.358
Monoisotopic Mass 306.14672
InChI InChI=1S/C17H22O5/c1-9-5-6-14(21-11(3)18)16(4)8-17(20)13(7-12(9)16)10(2)15(19)22-17/h12,14,20H,1,5-8H2,2-4H3
InChIKey DDHXERAMOVJOAJ-UHFFFAOYSA-N
SMILES O1C2(O)CC3(C(CC2=C(C1=O)C)C(CCC3OC(=O)C)=C)C
ChEBI Ontology
Outgoing (9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8-yl) acetate (CHEBI:182463) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name
(9a-hydroxy-3,8a-dimethyl-5-methylidene-2-oxo-4,4a,6,7,8,9-hexahydrobenzo[][1]benzouran-8-yl) acetate
Manual Xref Database
22370205 ChemSpider
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