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Details

Stereochemistry ACHIRAL
Molecular Formula C10H16O
Molecular Weight 152.2334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NERAL

SMILES

CC(C)=CCC\C(C)=C/C=O

InChI

InChIKey=WTEVQBCEXWBHNA-YFHOEESVSA-N
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-

HIDE SMILES / InChI

Molecular Formula C10H16O
Molecular Weight 152.2334
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:17:48 UTC 2023
Edited
by admin
on Fri Dec 15 16:17:48 UTC 2023
Record UNII
8M466BQL1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NERAL
Systematic Name English
CITRAL NERAL [MI]
Common Name English
CITRAL-B
Common Name English
CIS-CITRAL
Common Name English
CITRAL NERAL
MI  
Systematic Name English
CITRAL B
Common Name English
(2Z)-3,7-DIMETHYLOCTA-2,6-DIENAL
Systematic Name English
Code System Code Type Description
EVMPD
SUB62725
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
203-379-2
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
CHEBI
29020
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
RXCUI
1484865
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY RxNorm
DAILYMED
8M466BQL1X
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
MESH
C007076
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
CHEBI
16980
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
PUBCHEM
643779
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID60881216
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
MERCK INDEX
m3591
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY Merck Index
SMS_ID
100000134491
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
FDA UNII
8M466BQL1X
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
CAS
106-26-3
Created by admin on Fri Dec 15 16:17:48 UTC 2023 , Edited by admin on Fri Dec 15 16:17:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
ASSAY (GC)
PARENT -> CONSTITUENT MAY BE PRESENT
ASSAY (GC)