EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:182123 - (1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid

ChEBI IDCHEBI:182123
ChEBI Name(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@]12CCC=C(C)[C@]1(C)CC[C@@H](C)[C@@]2(CCc1ccoc1)C(=O)O
InChIInChI=1S/C20H28O3/c1-14-5-4-6-17-19(14,3)10-7-15(2)20(17,18(21)22)11-8-16-9-12-23-13-16/h5,9,12-13,15,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t15-,17+,19+,20-/m1/s1
InChIKeyTUMLDZXQVLUMQL-DJABAAGCSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid (CHEBI:182123) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,2R,4aR,8aS)-1-[2-(uran-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Manual XrefsDatabases
22913781ChemSpider