CHEBI:143242 - adhumulone

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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 adhumulone
ChEBI ID CHEBI:143242
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C21H30O5
Net Charge 0
Average Mass 362.466
Monoisotopic Mass 362.20932
InChI InChI=1S/C21H30O5/c1-7-14(6)17(22)16-18(23)15(9-8-12(2)3)19(24)21(26,20(16)25)11-10-13(4)5/h8,10,14,23-24,26H,7,9,11H2,1-6H3
InChIKey LDXMPKMQIKGJFN-UHFFFAOYSA-N
SMILES OC1(C(O)=C(C(O)=C(C1=O)C(=O)C(CC)C)CC=C(C)C)CC=C(C)C
ChEBI Ontology
Outgoing adhumulone (CHEBI:143242) is a cyclic ketone (CHEBI:3992)
Manual Xref Database
193681 Pubchem accession
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Last Modified
12 March 2019