PRIMIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O3
Molecular Weight	208.2536
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PRIMIN

Structure Search

SMILES

CCCCCC1=CC(=O)C=C(OC)C1=O

InChI

InChIKey=WLWIMKWZMGJRBS-UHFFFAOYSA-N

InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H16O3
Molecular Weight	208.2536
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:31 UTC 2023` Edited by `admin` on `Sat Dec 16 11:07:31 UTC 2023`
Record UNII	580KA9SG8W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PRIMIN

Common Name

English

2,5-CYCLOHEXADIENE-1,4-DIONE, 2-METHOXY-6-PENTYL-

Systematic Name

English

P-BENZOQUINONE, 2-METHOXY-6-PENTYL-

Common Name

English

2-METHOXY-6-PENTYL-1,4-BENZOQUINONE

Systematic Name

English

Code System Code Type Description

CHEBI

8413

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

PUBCHEM

84800

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

FDA UNII

580KA9SG8W

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID20164734

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

EVMPD

SUB169428

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

SMS_ID

100000159421

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

CAS

15121-94-5

Created by admin on Sat Dec 16 11:07:31 UTC 2023 , Edited by admin on Sat Dec 16 11:07:31 UTC 2023

PRIMARY

Related Record Type Details


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PRIMULA VERIS FLOWER

PARENT -> CONSTITUENT ALWAYS PRESENT