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CHEBI:181576 - 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetyl]-2H-furan-5-one

ChEBI IDCHEBI:181576
ChEBI Name4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetyl]-2H-furan-5-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O5
Net Charge0
Average Mass348.439
Monoisotopic Mass348.19367
SMILES[H][C@]12CCC(=C)[C@@H](CC(=O)C3=CCOC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO
InChIInChI=1S/C20H28O5/c1-12-4-5-16-19(2,8-6-17(23)20(16,3)11-21)14(12)10-15(22)13-7-9-25-18(13)24/h7,14,16-17,21,23H,1,4-6,8-11H2,2-3H3/t14-,16+,17-,19+,20+/m1/s1
InChIKeyKPJIGLLMDBHXEB-XUMBOQAASA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetyl]-2H-furan-5-one (CHEBI:181576) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetyl]-2H-uran-5-one
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