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CHEBI:182356 - 3-[2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)decalin-1alpha-yl]ethyl]furan-2(5H)-one

ChEBI IDCHEBI:182356
ChEBI Name3-[2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)decalin-1alpha-yl]ethyl]furan-2(5H)-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C1CCC2[C@](C)(CO)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O
InChIInChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17?,19+,20+/m1/s1
InChIKeyWKKBRRFSRMDTJB-RNHVSHAASA-N
ChEBI Ontology
Outgoing Relation(s)
3-[2-[2-Methylene-5,8aalpha-dimethyl-5alpha-(hydroxymethyl)decalin-1alpha-yl]ethyl]furan-2(5H)-one (CHEBI:182356) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
4-[2-[(1R,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-uran-5-one
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