CHEBI:181857 - Diterpene deriv 329

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ChEBI Name Diterpene deriv 329
ChEBI ID CHEBI:181857
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h11,13-14,17H,6-10,12H2,1-5H3,(H,22,23)
InChIKey RNWHJFUXZQBBLK-UHFFFAOYSA-N
SMILES O=C1CC2C(C(CCC2(C(=C1)C)C)C)(CCC(CC(O)=O)C)C
ChEBI Ontology
Outgoing Diterpene deriv 329 (CHEBI:181857) is a diterpenoid (CHEBI:23849)
IUPAC Name
5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid
Manual Xref Database
301535 ChemSpider
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