CHEBI:195980 - Dihydronootkatone

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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 Dihydronootkatone
ChEBI ID CHEBI:195980
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O
Net Charge 0
Average Mass 220.356
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m1/s1
InChIKey NMALGKNZYKRHCE-CXTNEJHOSA-N
SMILES O=C1C[C@]2([C@]([C@@H](C1)C)(C[C@@H](CC2)C(C)=C)C)[H]
ChEBI Ontology
Outgoing Dihydronootkatone (CHEBI:195980) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4R,4aS,6R,8aS)-4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Manual Xref Database
23350277 ChemSpider
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