CHEBI:195990 - Acoragermacrone

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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 Acoragermacrone
ChEBI ID CHEBI:195990
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/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6+,13-10+/t14-/m0/s1
InChIKey RESNWHKKMVJDFA-SCGYNDOXSA-N
SMILES O=C1[C@H](C(C)C)CCC(=CCCC(=C1)C)C
ChEBI Ontology
Outgoing Acoragermacrone (CHEBI:195990) is a germacrane sesquiterpenoid (CHEBI:68588)
IUPAC Name
(2E,6E,10S)-3,7-dimethyl-10-propan-2-ylcyclodeca-2,6-dien-1-one
Manual Xref Database
34994847 ChemSpider
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