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CHEBI:177980 - 1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol

ChEBI IDCHEBI:177980
ChEBI Name1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
Stars
ASCII Name1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
DefinitionA member of the class of indenes that is 2,4,5,7a-tetrahydro-1H-indene substituted by methyl groups at positions 1, 4, 4 and 7a and by a hydroxy group at position 2.
Last Modified14 January 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O
Net Charge0
Average Mass192.302
Monoisotopic Mass192.15142
SMILESCC1C(O)C=C2C(C)(C)CC=CC21C
InChIInChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3
InChIKeyMHUYBIUXLMLCJM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) MetaboLights (MTBLS3247)
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol (CHEBI:177980) has role flavouring agent (CHEBI:35617)
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol (CHEBI:177980) is a indene (CHEBI:37910)
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol (CHEBI:177980) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
Synonyms  Source
1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-olSUBMITTER
FEMA 4521ChEBI
2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)-dien-8-olChEBI
2,4,5,7a-tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-olChEBI
Manual XrefsDatabases
HMDB0036684HMDB
35014199ChemSpider
Registry NumbersSources
Reaxys:37847595Reaxys
CAS:97866-86-9ChEBI