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CHEBI:181157 - (E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid

ChEBI IDCHEBI:181157
ChEBI Name(E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILES[H][C@]12C(=O)C=C(C)[C@@H](CC/C(=C\C(=O)O)COC(C)=O)[C@]1(C)CCCC2(C)C
InChIInChI=1S/C22H32O5/c1-14-11-18(24)20-21(3,4)9-6-10-22(20,5)17(14)8-7-16(12-19(25)26)13-27-15(2)23/h11-12,17,20H,6-10,13H2,1-5H3,(H,25,26)/b16-12+/t17-,20-,22+/m1/s1
InChIKeyUTRJNVUJZHUXNP-VQCNVNLLSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid (CHEBI:181157) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid
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