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CHEBI:172580 - Acetylsalvipisone

ChEBI IDCHEBI:172580
ChEBI NameAcetylsalvipisone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O4
Net Charge0
Average Mass354.446
Monoisotopic Mass354.18311
SMILESC=C(C)CCCc1c(C)ccc2c1C(=O)C(OC(C)=O)=C(C(C)C)C2=O
InChIInChI=1S/C22H26O4/c1-12(2)8-7-9-16-14(5)10-11-17-19(16)21(25)22(26-15(6)23)18(13(3)4)20(17)24/h10-11,13H,1,7-9H2,2-6H3
InChIKeyMCXIDKIJSQDYCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Acetylsalvipisone (CHEBI:172580) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
[7-methyl-8-(4-methylpent-4-enyl)-1,4-dioxo-3-propan-2-ylnaphthalen-2-yl] acetate
Manual XrefsDatabases
30776918ChemSpider
HMDB0031877HMDB