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(Q104375660)
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English
3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran
chemical compound
3,6-Dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran
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Statements
instance of
group of stereoisomers
0 references
subclass of
menthane monoterpenoids
1 reference
inferred from
menthane monoterpenoids
mass
152.120115132
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₆O
0 references
canonical SMILES
O1CC(C)C2CCC(=CC12)C
0 references
CC1COC2C1CCC(=C2)C
0 references
found in taxon
tomato
1 reference
stated in
Determination of Volatile Organic Compounds in Andean Tomato Landraces by Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry
Identifiers
InChI
InChI=1S/C10H16O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,8-10H,3-4,6H2,1-2H3
0 references
InChIKey
KBPPPUZMFQKLNP-UHFFFAOYSA-N
0 references
CAS Registry Number
70786-44-6
1 reference
stated in
CAS Common Chemistry
retrieved
14 May 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=70786-44-6
InChIKey
KBPPPUZMFQKLNP-UHFFFAOYSA-N
PubChem CID
586292
0 references
UniChem compound ID
32018482
1 reference
stated in
UniChem
FL number
13.198
1 reference
stated in
EFSA database
FL number
13.198
quotation
CAS no.: 70786-44-6
(English)
retrieved
3 May 2021
Human Metabolome Database ID
HMDB0302232
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00055062
1 reference
based on heuristic
inferred from InChIKey
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