CHEBI:167999 - Vulgarone A

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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 Vulgarone A
ChEBI ID CHEBI:167999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O
Net Charge 0
Average Mass 218.340
Monoisotopic Mass 218.16707
InChI InChI=1S/C15H22O/c1-9-8-10-12-13(16)11(9)15(12,4)7-5-6-14(10,2)3/h8,10-12H,5-7H2,1-4H3
InChIKey KKQDNHZABGRCAS-UHFFFAOYSA-N
SMILES O=C1C2C3(C1C(=CC2C(CCC3)(C)C)C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Vulgarone A (CHEBI:167999) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2,6,6,9-tetramethyltricyclo[5.4.0.02,10]undec-8-en-11-one
Manual Xrefs Databases
35014227 ChemSpider
HMDB0036733 HMDB
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