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CHEBI:180978 - (1S,4S,9S,10R,13R)-5,9-Dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

ChEBI IDCHEBI:180978
ChEBI Name(1S,4S,9S,10R,13R)-5,9-Dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@]12CC[C@]3([H])[C@](CC[C@]4([H])C(C)(C(=O)O)CCC[C@@]34C)(CC1=C)C2
InChIInChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14-,15+,16+,18-,19?,20-/m1/s1
InChIKeyNIKHGUQULKYIGE-ADPGWCSISA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4S,9S,10R,13R)-5,9-Dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid (CHEBI:180978) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1S,4S,9S,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid