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CHEBI:182079 - (1S,4As,5R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid

ChEBI IDCHEBI:182079
ChEBI Name(1S,4As,5R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESC=C1CCC2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCc1ccoc1
InChIInChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17?,19+,20+/m1/s1
InChIKeyZQHJXKYYELWEOK-RNHVSHAASA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4As,5R)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid (CHEBI:182079) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,4aS,5R)-5-[2-(uran-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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