CHEBI:181996 - 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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ChEBI Name 5-[5-(Acetyloxymethyl)-1,2,4a-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpentanoic acid
ChEBI ID CHEBI:181996
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O5
Net Charge 0
Average Mass 378.509
Monoisotopic Mass 378.24062
InChI InChI=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)
InChIKey OLDFOHABNQZMKB-UHFFFAOYSA-N
SMILES O=C1CC2C(C(CCC2(C(=C1)COC(=O)C)C)C)(CCC(CC(O)=O)C)C
ChEBI Ontology
Outgoing 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
Manual Xref Database
22370300 ChemSpider
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