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CHEBI:181996 - 5-[5-(Acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid

ChEBI IDCHEBI:181996
ChEBI Name5-[5-(Acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILESCC(=O)OCC1=CC(=O)CC2C1(C)CCC(C)C2(C)CCC(C)CC(=O)O
InChIInChI=1S/C22H34O5/c1-14(10-20(25)26)6-8-21(4)15(2)7-9-22(5)17(13-27-16(3)23)11-18(24)12-19(21)22/h11,14-15,19H,6-10,12-13H2,1-5H3,(H,25,26)
InChIKeyOLDFOHABNQZMKB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[5-(Acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid (CHEBI:181996) is a diterpenoid (CHEBI:23849)
IUPAC Name 
5-[5-(acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid
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22370300ChemSpider