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CHEBI:182067 - 2-[4a-formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid

ChEBI IDCHEBI:182067
ChEBI Name2-[4a-formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESCC1CCC2(C=O)C(CO)=CCCC2C1(C)CC(=O)O
InChIInChI=1S/C16H24O4/c1-11-6-7-16(10-18)12(9-17)4-3-5-13(16)15(11,2)8-14(19)20/h4,10-11,13,17H,3,5-9H2,1-2H3,(H,19,20)
InChIKeyHRISLEUGLBNLRB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[4a-formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid (CHEBI:182067) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
2-[4a-ormyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
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